USER MOD reduce.3.24.130724 H: found=0, std=0, add=1130, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1126 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 HIS : no HD1:sc= 0 X(o=1.7,f=1.7) USER MOD Set 1.2: A 128 TYR OH : rot 56:sc= 1.71 USER MOD Set 2.1: A 75 ASN : amide:sc= 0.869 K(o=0.87,f=-0.034) USER MOD Set 2.2: A 76 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 12 ASN : amide:sc= 0.353 K(o=-0.64,f=-5.6!) USER MOD Set 3.2: A 63 HIS : no HE2:sc= -0.997 K(o=-0.64,f=-4.8!) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 ASN : amide:sc= -0.279 K(o=-0.28,f=-1.9!) USER MOD Single : A 9 CYS SG : rot 21:sc= 0.875 USER MOD Single : A 14 CYS SG : rot -123:sc= 0.0131 USER MOD Single : A 16 SER OG : rot 180:sc= -0.289 USER MOD Single : A 18 THR OG1 : rot 93:sc= 1.2 USER MOD Single : A 24 GLN : amide:sc= 0.428 K(o=0.43,f=-0.21) USER MOD Single : A 26 TYR OH : rot -149:sc= 0.782 USER MOD Single : A 27 HIS : no HE2:sc= 0.538 K(o=0.54,f=-2.2!) USER MOD Single : A 31 LYS NZ :NH3+ 166:sc= 2.12 (180deg=1.78) USER MOD Single : A 34 SER OG : rot 130:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 70:sc= 1.41 USER MOD Single : A 51 SER OG : rot 57:sc= 1.26 USER MOD Single : A 57 GLN : amide:sc= 0.97 K(o=0.97,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 1.01 K(o=1,f=-0.32) USER MOD Single : A 69 SER OG : rot 180:sc= 0.392 USER MOD Single : A 73 CYS SG : rot 66:sc= 0.296 USER MOD Single : A 81 THR OG1 : rot -58:sc= 1.05 USER MOD Single : A 82 MET CE :methyl 171:sc= -0.0841 (180deg=-0.167) USER MOD Single : A 84 LYS NZ :NH3+ -162:sc= 0.826 (180deg=0.598) USER MOD Single : A 86 HIS : no HE2:sc= -0.982 K(o=-0.98,f=-3.6!) USER MOD Single : A 91 CYS SG : rot 81:sc= 0.113 USER MOD Single : A 93 MET CE :methyl -168:sc= -0.664 (180deg=-1.02) USER MOD Single : A 97 MET CE :methyl 171:sc=-0.00192 (180deg=-0.0997) USER MOD Single : A 100 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.18) USER MOD Single : A 102 MET CE :methyl -112:sc= -1.17 (180deg=-1.41) USER MOD Single : A 106 HIS : no HE2:sc= 1.06 K(o=1.1,f=-3.2!) USER MOD Single : A 109 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.46) USER MOD Single : A 111 CYS SG : rot 90:sc= 0.327 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0.00256 USER MOD Single : A 123 THR OG1 : rot -160:sc= 0.00552 USER MOD Single : A 129 THR OG1 : rot 78:sc= 1.18 USER MOD Single : A 134 SER OG : rot 74:sc= 1.19 USER MOD Single : A 137 GLN : amide:sc= 0.819 K(o=0.82,f=-7!) USER MOD Single : A 140 GLN : amide:sc= 0.652 K(o=0.65,f=-0.0059) USER MOD ----------------------------------------------------------------- ATOM 18 N PHE A 2 -4.965 8.612 -12.196 1.00 0.00 N ATOM 19 CA PHE A 2 -4.948 7.351 -11.449 1.00 0.00 C ATOM 20 C PHE A 2 -6.127 7.308 -10.460 1.00 0.00 C ATOM 21 O PHE A 2 -5.933 7.351 -9.247 1.00 0.00 O ATOM 22 CB PHE A 2 -3.587 7.182 -10.744 1.00 0.00 C ATOM 23 CG PHE A 2 -2.366 7.224 -11.650 1.00 0.00 C ATOM 24 CD1 PHE A 2 -2.272 6.369 -12.766 1.00 0.00 C ATOM 25 CD2 PHE A 2 -1.306 8.107 -11.366 1.00 0.00 C ATOM 26 CE1 PHE A 2 -1.138 6.407 -13.596 1.00 0.00 C ATOM 27 CE2 PHE A 2 -0.164 8.135 -12.188 1.00 0.00 C ATOM 28 CZ PHE A 2 -0.080 7.286 -13.305 1.00 0.00 C ATOM 0 HA PHE A 2 -5.070 6.512 -12.134 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -3.487 7.966 -9.994 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -3.590 6.231 -10.212 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -3.075 5.681 -12.985 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -1.370 8.766 -10.513 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -1.079 5.760 -14.459 1.00 0.00 H new ATOM 0 HE2 PHE A 2 0.648 8.809 -11.960 1.00 0.00 H new ATOM 0 HZ PHE A 2 0.795 7.309 -13.938 1.00 0.00 H new ATOM 38 N ASN A 3 -7.363 7.309 -10.971 1.00 0.00 N ATOM 39 CA ASN A 3 -8.579 7.436 -10.163 1.00 0.00 C ATOM 40 C ASN A 3 -8.733 6.300 -9.146 1.00 0.00 C ATOM 41 O ASN A 3 -9.231 6.528 -8.041 1.00 0.00 O ATOM 42 CB ASN A 3 -9.811 7.483 -11.077 1.00 0.00 C ATOM 43 CG ASN A 3 -11.093 7.629 -10.258 1.00 0.00 C ATOM 44 OD1 ASN A 3 -11.283 8.615 -9.553 1.00 0.00 O ATOM 45 ND2 ASN A 3 -11.996 6.665 -10.334 1.00 0.00 N ATOM 0 H ASN A 3 -7.548 7.220 -11.970 1.00 0.00 H new ATOM 0 HA ASN A 3 -8.493 8.365 -9.600 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -9.722 8.318 -11.772 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.859 6.574 -11.676 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -12.864 6.736 -9.802 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -11.825 5.851 -10.924 1.00 0.00 H new ATOM 52 N ASN A 4 -8.304 5.091 -9.525 1.00 0.00 N ATOM 53 CA ASN A 4 -8.467 3.886 -8.718 1.00 0.00 C ATOM 54 C ASN A 4 -7.096 3.238 -8.559 1.00 0.00 C ATOM 55 O ASN A 4 -6.419 3.008 -9.563 1.00 0.00 O ATOM 56 CB ASN A 4 -9.477 2.949 -9.404 1.00 0.00 C ATOM 57 CG ASN A 4 -9.868 1.789 -8.500 1.00 0.00 C ATOM 58 OD1 ASN A 4 -9.867 1.917 -7.282 1.00 0.00 O ATOM 59 ND2 ASN A 4 -10.200 0.633 -9.046 1.00 0.00 N ATOM 0 H ASN A 4 -7.829 4.924 -10.412 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.860 4.116 -7.728 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -10.368 3.513 -9.680 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.046 2.562 -10.328 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -10.457 -0.156 -8.453 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -10.200 0.530 -10.061 1.00 0.00 H new ATOM 66 N ILE A 5 -6.686 2.944 -7.324 1.00 0.00 N ATOM 67 CA ILE A 5 -5.311 2.549 -7.006 1.00 0.00 C ATOM 68 C ILE A 5 -5.327 1.280 -6.141 1.00 0.00 C ATOM 69 O ILE A 5 -6.255 1.070 -5.357 1.00 0.00 O ATOM 70 CB ILE A 5 -4.641 3.753 -6.281 1.00 0.00 C ATOM 71 CG1 ILE A 5 -4.571 4.991 -7.213 1.00 0.00 C ATOM 72 CG2 ILE A 5 -3.247 3.432 -5.717 1.00 0.00 C ATOM 73 CD1 ILE A 5 -3.959 6.249 -6.584 1.00 0.00 C ATOM 0 H ILE A 5 -7.301 2.973 -6.511 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.739 2.310 -7.902 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.278 3.978 -5.426 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.991 4.728 -8.097 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.579 5.228 -7.552 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.841 4.316 -5.226 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.325 2.619 -4.995 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.586 3.133 -6.530 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.956 7.057 -7.316 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.549 6.547 -5.717 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.936 6.039 -6.271 1.00 0.00 H new ATOM 85 N LEU A 6 -4.270 0.467 -6.245 1.00 0.00 N ATOM 86 CA LEU A 6 -4.077 -0.722 -5.417 1.00 0.00 C ATOM 87 C LEU A 6 -2.758 -0.588 -4.666 1.00 0.00 C ATOM 88 O LEU A 6 -1.795 -0.061 -5.221 1.00 0.00 O ATOM 89 CB LEU A 6 -4.031 -1.966 -6.323 1.00 0.00 C ATOM 90 CG LEU A 6 -3.977 -3.323 -5.591 1.00 0.00 C ATOM 91 CD1 LEU A 6 -5.219 -3.558 -4.728 1.00 0.00 C ATOM 92 CD2 LEU A 6 -3.858 -4.470 -6.603 1.00 0.00 C ATOM 0 H LEU A 6 -3.517 0.621 -6.916 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.897 -0.822 -4.706 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.910 -1.956 -6.968 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.159 -1.889 -6.972 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.102 -3.298 -4.942 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.139 -4.525 -4.231 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.296 -2.770 -3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.108 -3.547 -5.359 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.821 -5.421 -6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.721 -4.459 -7.268 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.947 -4.346 -7.189 1.00 0.00 H new ATOM 104 N VAL A 7 -2.681 -1.131 -3.452 1.00 0.00 N ATOM 105 CA VAL A 7 -1.429 -1.260 -2.713 1.00 0.00 C ATOM 106 C VAL A 7 -1.254 -2.745 -2.387 1.00 0.00 C ATOM 107 O VAL A 7 -2.214 -3.414 -2.003 1.00 0.00 O ATOM 108 CB VAL A 7 -1.445 -0.366 -1.453 1.00 0.00 C ATOM 109 CG1 VAL A 7 -0.032 -0.263 -0.858 1.00 0.00 C ATOM 110 CG2 VAL A 7 -1.957 1.062 -1.713 1.00 0.00 C ATOM 0 H VAL A 7 -3.492 -1.496 -2.952 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.578 -0.918 -3.302 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.136 -0.848 -0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.056 0.370 0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.321 -1.257 -0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.642 0.172 -1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.939 1.630 -0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.317 1.550 -2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.978 1.019 -2.093 1.00 0.00 H new ATOM 120 N VAL A 8 -0.039 -3.271 -2.548 1.00 0.00 N ATOM 121 CA VAL A 8 0.198 -4.708 -2.480 1.00 0.00 C ATOM 122 C VAL A 8 1.344 -4.976 -1.511 1.00 0.00 C ATOM 123 O VAL A 8 2.359 -4.274 -1.531 1.00 0.00 O ATOM 124 CB VAL A 8 0.475 -5.258 -3.897 1.00 0.00 C ATOM 125 CG1 VAL A 8 0.556 -6.795 -3.898 1.00 0.00 C ATOM 126 CG2 VAL A 8 -0.624 -4.836 -4.888 1.00 0.00 C ATOM 0 H VAL A 8 0.799 -2.717 -2.727 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.683 -5.228 -2.104 1.00 0.00 H new ATOM 0 HB VAL A 8 1.432 -4.839 -4.207 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.752 -7.148 -4.910 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.362 -7.117 -3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.389 -7.209 -3.545 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.398 -5.240 -5.875 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.586 -5.221 -4.550 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.667 -3.748 -4.942 1.00 0.00 H new ATOM 136 N CYS A 9 1.177 -6.003 -0.674 1.00 0.00 N ATOM 137 CA CYS A 9 2.229 -6.500 0.219 1.00 0.00 C ATOM 138 C CYS A 9 2.209 -8.034 0.205 1.00 0.00 C ATOM 139 O CYS A 9 1.379 -8.625 -0.481 1.00 0.00 O ATOM 140 CB CYS A 9 2.049 -5.892 1.620 1.00 0.00 C ATOM 141 SG CYS A 9 2.717 -4.203 1.600 1.00 0.00 S ATOM 0 H CYS A 9 0.300 -6.518 -0.596 1.00 0.00 H new ATOM 0 HA CYS A 9 3.217 -6.190 -0.123 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.995 -5.880 1.896 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.567 -6.496 2.365 1.00 0.00 H new ATOM 0 HG CYS A 9 2.763 -3.769 0.375 1.00 0.00 H new ATOM 147 N VAL A 10 3.117 -8.719 0.907 1.00 0.00 N ATOM 148 CA VAL A 10 3.127 -10.183 0.898 1.00 0.00 C ATOM 149 C VAL A 10 1.875 -10.739 1.599 1.00 0.00 C ATOM 150 O VAL A 10 1.217 -11.616 1.038 1.00 0.00 O ATOM 151 CB VAL A 10 4.473 -10.723 1.436 1.00 0.00 C ATOM 152 CG1 VAL A 10 4.819 -10.270 2.864 1.00 0.00 C ATOM 153 CG2 VAL A 10 4.557 -12.251 1.338 1.00 0.00 C ATOM 0 H VAL A 10 3.844 -8.290 1.480 1.00 0.00 H new ATOM 0 HA VAL A 10 3.064 -10.549 -0.127 1.00 0.00 H new ATOM 0 HB VAL A 10 5.221 -10.276 0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.778 -10.696 3.158 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.880 -9.182 2.896 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.045 -10.611 3.551 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.518 -12.588 1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.753 -12.698 1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.460 -12.555 0.296 1.00 0.00 H new ATOM 163 N GLY A 11 1.499 -10.193 2.765 1.00 0.00 N ATOM 164 CA GLY A 11 0.429 -10.759 3.591 1.00 0.00 C ATOM 165 C GLY A 11 -0.832 -9.899 3.650 1.00 0.00 C ATOM 166 O GLY A 11 -1.843 -10.373 4.166 1.00 0.00 O ATOM 0 H GLY A 11 1.926 -9.354 3.157 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.167 -11.743 3.203 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.805 -10.905 4.604 1.00 0.00 H new ATOM 170 N ASN A 12 -0.791 -8.671 3.107 1.00 0.00 N ATOM 171 CA ASN A 12 -1.912 -7.710 3.053 1.00 0.00 C ATOM 172 C ASN A 12 -2.377 -7.176 4.414 1.00 0.00 C ATOM 173 O ASN A 12 -2.651 -5.990 4.508 1.00 0.00 O ATOM 174 CB ASN A 12 -3.096 -8.301 2.261 1.00 0.00 C ATOM 175 CG ASN A 12 -4.268 -7.383 1.897 1.00 0.00 C ATOM 176 OD1 ASN A 12 -5.143 -7.829 1.168 1.00 0.00 O ATOM 177 ND2 ASN A 12 -4.384 -6.152 2.364 1.00 0.00 N ATOM 0 H ASN A 12 0.057 -8.303 2.676 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.515 -6.839 2.532 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -2.700 -8.715 1.334 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.496 -9.135 2.837 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.196 -5.587 2.115 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.662 -5.767 2.973 1.00 0.00 H new ATOM 184 N ILE A 13 -2.452 -7.978 5.470 1.00 0.00 N ATOM 185 CA ILE A 13 -3.094 -7.614 6.739 1.00 0.00 C ATOM 186 C ILE A 13 -2.513 -6.394 7.489 1.00 0.00 C ATOM 187 O ILE A 13 -3.119 -5.994 8.483 1.00 0.00 O ATOM 188 CB ILE A 13 -3.182 -8.863 7.650 1.00 0.00 C ATOM 189 CG1 ILE A 13 -1.788 -9.457 7.956 1.00 0.00 C ATOM 190 CG2 ILE A 13 -4.105 -9.916 7.011 1.00 0.00 C ATOM 191 CD1 ILE A 13 -1.790 -10.480 9.097 1.00 0.00 C ATOM 0 H ILE A 13 -2.062 -8.920 5.473 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.089 -7.265 6.464 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.607 -8.553 8.604 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.400 -9.932 7.055 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.105 -8.646 8.208 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.161 -10.791 7.658 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.102 -9.495 6.882 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.706 -10.208 6.040 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.778 -10.852 9.254 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.147 -10.005 10.011 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.447 -11.311 8.839 1.00 0.00 H new ATOM 203 N CYS A 14 -1.394 -5.785 7.068 1.00 0.00 N ATOM 204 CA CYS A 14 -0.743 -4.719 7.839 1.00 0.00 C ATOM 205 C CYS A 14 -0.475 -3.456 7.013 1.00 0.00 C ATOM 206 O CYS A 14 -1.211 -2.472 7.123 1.00 0.00 O ATOM 207 CB CYS A 14 0.568 -5.221 8.483 1.00 0.00 C ATOM 208 SG CYS A 14 0.291 -6.561 9.672 1.00 0.00 S ATOM 0 H CYS A 14 -0.921 -6.015 6.194 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.447 -4.443 8.624 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.243 -5.568 7.701 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.063 -4.390 8.986 1.00 0.00 H new ATOM 0 HG CYS A 14 0.775 -6.221 10.830 1.00 0.00 H new ATOM 214 N ARG A 15 0.581 -3.459 6.192 1.00 0.00 N ATOM 215 CA ARG A 15 1.064 -2.235 5.557 1.00 0.00 C ATOM 216 C ARG A 15 0.097 -1.676 4.524 1.00 0.00 C ATOM 217 O ARG A 15 -0.235 -0.494 4.595 1.00 0.00 O ATOM 218 CB ARG A 15 2.433 -2.463 4.905 1.00 0.00 C ATOM 219 CG ARG A 15 3.557 -2.902 5.856 1.00 0.00 C ATOM 220 CD ARG A 15 4.935 -2.855 5.171 1.00 0.00 C ATOM 221 NE ARG A 15 4.988 -3.698 3.957 1.00 0.00 N ATOM 222 CZ ARG A 15 5.999 -4.485 3.568 1.00 0.00 C ATOM 223 NH1 ARG A 15 7.138 -4.549 4.232 1.00 0.00 N ATOM 224 NH2 ARG A 15 5.892 -5.241 2.486 1.00 0.00 N ATOM 0 H ARG A 15 1.114 -4.295 5.954 1.00 0.00 H new ATOM 0 HA ARG A 15 1.151 -1.497 6.355 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.324 -3.219 4.127 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.739 -1.540 4.412 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.565 -2.255 6.733 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.360 -3.915 6.208 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.171 -1.825 4.906 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.699 -3.186 5.874 1.00 0.00 H new ATOM 0 HE ARG A 15 4.167 -3.678 3.352 1.00 0.00 H new ATOM 0 HH11 ARG A 15 7.271 -3.987 5.073 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.886 -5.161 3.904 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.032 -5.228 1.938 1.00 0.00 H new ATOM 0 HH22 ARG A 15 6.670 -5.836 2.201 1.00 0.00 H new ATOM 238 N SER A 16 -0.334 -2.474 3.550 1.00 0.00 N ATOM 239 CA SER A 16 -1.079 -1.948 2.419 1.00 0.00 C ATOM 240 C SER A 16 -2.397 -1.261 2.844 1.00 0.00 C ATOM 241 O SER A 16 -2.585 -0.115 2.438 1.00 0.00 O ATOM 242 CB SER A 16 -1.173 -3.002 1.308 1.00 0.00 C ATOM 243 OG SER A 16 -1.285 -4.335 1.788 1.00 0.00 O ATOM 0 H SER A 16 -0.179 -3.482 3.525 1.00 0.00 H new ATOM 0 HA SER A 16 -0.530 -1.121 1.969 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.036 -2.778 0.680 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.290 -2.927 0.674 1.00 0.00 H new ATOM 0 HG SER A 16 -1.342 -4.952 1.029 1.00 0.00 H new ATOM 249 N PRO A 17 -3.243 -1.827 3.731 1.00 0.00 N ATOM 250 CA PRO A 17 -4.399 -1.141 4.308 1.00 0.00 C ATOM 251 C PRO A 17 -4.051 0.169 5.018 1.00 0.00 C ATOM 252 O PRO A 17 -4.827 1.124 4.966 1.00 0.00 O ATOM 253 CB PRO A 17 -5.014 -2.122 5.310 1.00 0.00 C ATOM 254 CG PRO A 17 -4.622 -3.479 4.747 1.00 0.00 C ATOM 255 CD PRO A 17 -3.246 -3.210 4.149 1.00 0.00 C ATOM 0 HA PRO A 17 -5.082 -0.860 3.506 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.619 -1.973 6.315 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.096 -2.009 5.373 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.584 -4.243 5.523 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.330 -3.825 3.994 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.461 -3.395 4.883 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.054 -3.871 3.304 1.00 0.00 H new ATOM 263 N THR A 18 -2.898 0.225 5.694 1.00 0.00 N ATOM 264 CA THR A 18 -2.468 1.435 6.380 1.00 0.00 C ATOM 265 C THR A 18 -2.174 2.522 5.336 1.00 0.00 C ATOM 266 O THR A 18 -2.652 3.647 5.481 1.00 0.00 O ATOM 267 CB THR A 18 -1.267 1.118 7.294 1.00 0.00 C ATOM 268 OG1 THR A 18 -1.574 0.047 8.169 1.00 0.00 O ATOM 269 CG2 THR A 18 -0.878 2.314 8.168 1.00 0.00 C ATOM 0 H THR A 18 -2.250 -0.558 5.777 1.00 0.00 H new ATOM 0 HA THR A 18 -3.254 1.818 7.031 1.00 0.00 H new ATOM 0 HB THR A 18 -0.441 0.861 6.631 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.283 -0.798 7.767 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.028 2.045 8.795 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.607 3.157 7.532 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.721 2.592 8.800 1.00 0.00 H new ATOM 277 N ALA A 19 -1.458 2.190 4.253 1.00 0.00 N ATOM 278 CA ALA A 19 -1.209 3.132 3.165 1.00 0.00 C ATOM 279 C ALA A 19 -2.515 3.537 2.483 1.00 0.00 C ATOM 280 O ALA A 19 -2.709 4.718 2.218 1.00 0.00 O ATOM 281 CB ALA A 19 -0.256 2.521 2.138 1.00 0.00 C ATOM 0 H ALA A 19 -1.041 1.270 4.111 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.750 4.024 3.592 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.081 3.236 1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.691 2.278 2.620 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.698 1.613 1.727 1.00 0.00 H new ATOM 287 N GLU A 20 -3.409 2.580 2.225 1.00 0.00 N ATOM 288 CA GLU A 20 -4.720 2.840 1.647 1.00 0.00 C ATOM 289 C GLU A 20 -5.463 3.888 2.476 1.00 0.00 C ATOM 290 O GLU A 20 -5.916 4.890 1.924 1.00 0.00 O ATOM 291 CB GLU A 20 -5.464 1.498 1.502 1.00 0.00 C ATOM 292 CG GLU A 20 -6.960 1.571 1.153 1.00 0.00 C ATOM 293 CD GLU A 20 -7.871 1.308 2.369 1.00 0.00 C ATOM 294 OE1 GLU A 20 -8.083 0.131 2.739 1.00 0.00 O ATOM 295 OE2 GLU A 20 -8.416 2.275 2.944 1.00 0.00 O ATOM 0 H GLU A 20 -3.237 1.593 2.415 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.639 3.270 0.649 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.963 0.913 0.731 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.359 0.948 2.437 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.185 2.555 0.742 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.183 0.842 0.374 1.00 0.00 H new ATOM 302 N ARG A 21 -5.513 3.730 3.802 1.00 0.00 N ATOM 303 CA ARG A 21 -6.174 4.702 4.663 1.00 0.00 C ATOM 304 C ARG A 21 -5.446 6.036 4.726 1.00 0.00 C ATOM 305 O ARG A 21 -6.109 7.071 4.749 1.00 0.00 O ATOM 306 CB ARG A 21 -6.327 4.120 6.069 1.00 0.00 C ATOM 307 CG ARG A 21 -7.494 3.140 6.190 1.00 0.00 C ATOM 308 CD ARG A 21 -8.849 3.764 5.807 1.00 0.00 C ATOM 309 NE ARG A 21 -9.946 3.011 6.426 1.00 0.00 N ATOM 310 CZ ARG A 21 -10.298 1.751 6.154 1.00 0.00 C ATOM 311 NH1 ARG A 21 -9.851 1.125 5.069 1.00 0.00 N ATOM 312 NH2 ARG A 21 -11.091 1.125 7.015 1.00 0.00 N ATOM 0 H ARG A 21 -5.103 2.938 4.297 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.153 4.903 4.228 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.404 3.612 6.348 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.470 4.935 6.779 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.304 2.278 5.551 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.547 2.772 7.215 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.883 4.804 6.131 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.964 3.764 4.723 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.495 3.498 7.135 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.226 1.607 4.423 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.134 0.163 4.883 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.413 1.606 7.855 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.378 0.163 6.837 1.00 0.00 H new ATOM 326 N LEU A 22 -4.115 6.053 4.741 1.00 0.00 N ATOM 327 CA LEU A 22 -3.363 7.307 4.718 1.00 0.00 C ATOM 328 C LEU A 22 -3.666 8.068 3.431 1.00 0.00 C ATOM 329 O LEU A 22 -3.872 9.280 3.458 1.00 0.00 O ATOM 330 CB LEU A 22 -1.862 7.020 4.845 1.00 0.00 C ATOM 331 CG LEU A 22 -1.442 6.640 6.277 1.00 0.00 C ATOM 332 CD1 LEU A 22 -0.123 5.869 6.236 1.00 0.00 C ATOM 333 CD2 LEU A 22 -1.295 7.895 7.142 1.00 0.00 C ATOM 0 H LEU A 22 -3.535 5.214 4.769 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.665 7.926 5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.594 6.210 4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.301 7.900 4.529 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.213 6.008 6.717 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.173 5.601 7.250 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.249 4.963 5.643 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.649 6.493 5.786 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.998 7.609 8.151 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.535 8.547 6.711 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.247 8.424 7.181 1.00 0.00 H new ATOM 345 N LEU A 23 -3.751 7.361 2.304 1.00 0.00 N ATOM 346 CA LEU A 23 -4.126 7.952 1.031 1.00 0.00 C ATOM 347 C LEU A 23 -5.584 8.421 1.075 1.00 0.00 C ATOM 348 O LEU A 23 -5.853 9.503 0.564 1.00 0.00 O ATOM 349 CB LEU A 23 -3.872 6.960 -0.114 1.00 0.00 C ATOM 350 CG LEU A 23 -2.374 6.703 -0.392 1.00 0.00 C ATOM 351 CD1 LEU A 23 -2.201 5.396 -1.174 1.00 0.00 C ATOM 352 CD2 LEU A 23 -1.726 7.860 -1.165 1.00 0.00 C ATOM 0 H LEU A 23 -3.560 6.360 2.254 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.506 8.829 0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.356 6.013 0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.341 7.339 -1.022 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.872 6.625 0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.142 5.224 -1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.604 4.567 -0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.734 5.466 -2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.673 7.637 -1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.233 7.987 -2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.811 8.778 -0.584 1.00 0.00 H new ATOM 364 N GLN A 24 -6.513 7.701 1.723 1.00 0.00 N ATOM 365 CA GLN A 24 -7.871 8.214 1.948 1.00 0.00 C ATOM 366 C GLN A 24 -7.842 9.515 2.757 1.00 0.00 C ATOM 367 O GLN A 24 -8.608 10.427 2.455 1.00 0.00 O ATOM 368 CB GLN A 24 -8.797 7.201 2.660 1.00 0.00 C ATOM 369 CG GLN A 24 -9.195 5.955 1.856 1.00 0.00 C ATOM 370 CD GLN A 24 -9.804 6.323 0.505 1.00 0.00 C ATOM 371 OE1 GLN A 24 -10.978 6.667 0.395 1.00 0.00 O ATOM 372 NE2 GLN A 24 -8.994 6.291 -0.538 1.00 0.00 N ATOM 0 H GLN A 24 -6.349 6.767 2.098 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.281 8.399 0.955 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.304 6.873 3.576 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.708 7.721 2.957 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.318 5.327 1.700 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.911 5.366 2.429 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.023 6.002 -0.421 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.340 6.556 -1.460 1.00 0.00 H new ATOM 381 N ARG A 25 -6.976 9.629 3.772 1.00 0.00 N ATOM 382 CA ARG A 25 -6.898 10.830 4.597 1.00 0.00 C ATOM 383 C ARG A 25 -6.481 12.033 3.750 1.00 0.00 C ATOM 384 O ARG A 25 -7.117 13.085 3.839 1.00 0.00 O ATOM 385 CB ARG A 25 -5.945 10.592 5.784 1.00 0.00 C ATOM 386 CG ARG A 25 -6.033 11.721 6.823 1.00 0.00 C ATOM 387 CD ARG A 25 -5.177 11.418 8.059 1.00 0.00 C ATOM 388 NE ARG A 25 -3.731 11.505 7.786 1.00 0.00 N ATOM 389 CZ ARG A 25 -2.768 10.958 8.542 1.00 0.00 C ATOM 390 NH1 ARG A 25 -3.070 10.213 9.602 1.00 0.00 N ATOM 391 NH2 ARG A 25 -1.495 11.158 8.231 1.00 0.00 N ATOM 0 H ARG A 25 -6.318 8.897 4.039 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.883 11.054 5.007 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.187 9.641 6.259 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.921 10.514 5.418 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.704 12.657 6.372 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.071 11.859 7.124 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.435 12.117 8.855 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.414 10.419 8.424 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.440 12.022 6.956 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.046 10.051 9.850 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.326 9.804 10.167 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.251 11.726 7.420 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.759 10.744 8.803 1.00 0.00 H new ATOM 405 N TYR A 26 -5.438 11.888 2.928 1.00 0.00 N ATOM 406 CA TYR A 26 -4.941 12.991 2.108 1.00 0.00 C ATOM 407 C TYR A 26 -5.826 13.251 0.881 1.00 0.00 C ATOM 408 O TYR A 26 -5.940 14.399 0.448 1.00 0.00 O ATOM 409 CB TYR A 26 -3.490 12.722 1.682 1.00 0.00 C ATOM 410 CG TYR A 26 -2.497 12.607 2.830 1.00 0.00 C ATOM 411 CD1 TYR A 26 -2.405 13.631 3.796 1.00 0.00 C ATOM 412 CD2 TYR A 26 -1.654 11.483 2.930 1.00 0.00 C ATOM 413 CE1 TYR A 26 -1.498 13.523 4.866 1.00 0.00 C ATOM 414 CE2 TYR A 26 -0.739 11.373 3.992 1.00 0.00 C ATOM 415 CZ TYR A 26 -0.661 12.393 4.964 1.00 0.00 C ATOM 416 OH TYR A 26 0.228 12.304 5.995 1.00 0.00 O ATOM 0 H TYR A 26 -4.922 11.015 2.814 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.974 13.893 2.719 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.462 11.799 1.102 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.166 13.525 1.019 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -3.035 14.504 3.714 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.711 10.701 2.187 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.443 14.304 5.610 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.096 10.508 4.064 1.00 0.00 H new ATOM 0 HH TYR A 26 1.015 11.797 5.705 1.00 0.00 H new ATOM 426 N HIS A 27 -6.453 12.217 0.319 1.00 0.00 N ATOM 427 CA HIS A 27 -7.192 12.251 -0.940 1.00 0.00 C ATOM 428 C HIS A 27 -8.471 11.403 -0.806 1.00 0.00 C ATOM 429 O HIS A 27 -8.550 10.309 -1.370 1.00 0.00 O ATOM 430 CB HIS A 27 -6.299 11.760 -2.100 1.00 0.00 C ATOM 431 CG HIS A 27 -5.243 12.721 -2.591 1.00 0.00 C ATOM 432 ND1 HIS A 27 -5.076 14.042 -2.234 1.00 0.00 N ATOM 433 CD2 HIS A 27 -4.335 12.459 -3.581 1.00 0.00 C ATOM 434 CE1 HIS A 27 -4.105 14.563 -3.000 1.00 0.00 C ATOM 435 NE2 HIS A 27 -3.629 13.635 -3.848 1.00 0.00 N ATOM 0 H HIS A 27 -6.459 11.292 0.750 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.484 13.276 -1.168 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.804 10.842 -1.784 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.943 11.502 -2.941 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -5.600 14.538 -1.513 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.189 11.508 -4.071 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.756 15.583 -2.943 1.00 0.00 H new ATOM 443 N PRO A 28 -9.501 11.882 -0.085 1.00 0.00 N ATOM 444 CA PRO A 28 -10.765 11.157 0.045 1.00 0.00 C ATOM 445 C PRO A 28 -11.528 11.086 -1.290 1.00 0.00 C ATOM 446 O PRO A 28 -12.382 10.216 -1.466 1.00 0.00 O ATOM 447 CB PRO A 28 -11.554 11.905 1.124 1.00 0.00 C ATOM 448 CG PRO A 28 -11.012 13.332 1.048 1.00 0.00 C ATOM 449 CD PRO A 28 -9.547 13.135 0.658 1.00 0.00 C ATOM 0 HA PRO A 28 -10.602 10.116 0.324 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.626 11.873 0.930 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -11.396 11.469 2.110 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.548 13.926 0.308 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.107 13.849 2.003 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.189 13.965 0.048 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.910 13.090 1.541 1.00 0.00 H new ATOM 457 N GLU A 29 -11.212 11.979 -2.236 1.00 0.00 N ATOM 458 CA GLU A 29 -11.829 12.008 -3.562 1.00 0.00 C ATOM 459 C GLU A 29 -11.225 10.953 -4.510 1.00 0.00 C ATOM 460 O GLU A 29 -11.620 10.891 -5.677 1.00 0.00 O ATOM 461 CB GLU A 29 -11.668 13.420 -4.160 1.00 0.00 C ATOM 462 CG GLU A 29 -12.312 14.540 -3.326 1.00 0.00 C ATOM 463 CD GLU A 29 -13.835 14.367 -3.168 1.00 0.00 C ATOM 464 OE1 GLU A 29 -14.584 14.600 -4.144 1.00 0.00 O ATOM 465 OE2 GLU A 29 -14.304 14.023 -2.059 1.00 0.00 O ATOM 0 H GLU A 29 -10.513 12.709 -2.098 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.886 11.764 -3.451 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.605 13.634 -4.274 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.105 13.430 -5.159 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.849 14.564 -2.339 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.107 15.501 -3.797 1.00 0.00 H new ATOM 472 N LEU A 30 -10.270 10.134 -4.049 1.00 0.00 N ATOM 473 CA LEU A 30 -9.520 9.184 -4.869 1.00 0.00 C ATOM 474 C LEU A 30 -9.687 7.793 -4.257 1.00 0.00 C ATOM 475 O LEU A 30 -9.720 7.657 -3.029 1.00 0.00 O ATOM 476 CB LEU A 30 -8.047 9.630 -4.915 1.00 0.00 C ATOM 477 CG LEU A 30 -7.264 9.114 -6.134 1.00 0.00 C ATOM 478 CD1 LEU A 30 -7.734 9.810 -7.419 1.00 0.00 C ATOM 479 CD2 LEU A 30 -5.775 9.418 -5.940 1.00 0.00 C ATOM 0 H LEU A 30 -9.993 10.117 -3.067 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.888 9.151 -5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.010 10.719 -4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.548 9.289 -4.008 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.434 8.041 -6.223 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.166 9.429 -8.268 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.795 9.611 -7.573 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.576 10.885 -7.330 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.214 9.055 -6.801 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.633 10.494 -5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.417 8.922 -5.038 1.00 0.00 H new ATOM 491 N LYS A 31 -9.822 6.752 -5.085 1.00 0.00 N ATOM 492 CA LYS A 31 -10.150 5.422 -4.579 1.00 0.00 C ATOM 493 C LYS A 31 -8.852 4.643 -4.429 1.00 0.00 C ATOM 494 O LYS A 31 -8.032 4.632 -5.347 1.00 0.00 O ATOM 495 CB LYS A 31 -11.124 4.720 -5.544 1.00 0.00 C ATOM 496 CG LYS A 31 -11.535 3.307 -5.089 1.00 0.00 C ATOM 497 CD LYS A 31 -12.349 3.301 -3.780 1.00 0.00 C ATOM 498 CE LYS A 31 -12.743 1.888 -3.324 1.00 0.00 C ATOM 499 NZ LYS A 31 -11.565 1.037 -3.036 1.00 0.00 N ATOM 0 H LYS A 31 -9.710 6.806 -6.097 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.644 5.485 -3.609 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.019 5.332 -5.652 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.662 4.655 -6.529 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.123 2.836 -5.877 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.639 2.701 -4.954 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.766 3.781 -2.994 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.251 3.897 -3.917 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.364 1.958 -2.431 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.348 1.415 -4.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.868 0.190 -2.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.117 0.751 -3.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.882 1.572 -2.462 1.00 0.00 H new ATOM 513 N VAL A 32 -8.692 3.954 -3.299 1.00 0.00 N ATOM 514 CA VAL A 32 -7.553 3.081 -3.061 1.00 0.00 C ATOM 515 C VAL A 32 -8.089 1.788 -2.440 1.00 0.00 C ATOM 516 O VAL A 32 -9.129 1.797 -1.773 1.00 0.00 O ATOM 517 CB VAL A 32 -6.499 3.791 -2.179 1.00 0.00 C ATOM 518 CG1 VAL A 32 -5.186 2.996 -2.146 1.00 0.00 C ATOM 519 CG2 VAL A 32 -6.176 5.220 -2.654 1.00 0.00 C ATOM 0 H VAL A 32 -9.353 3.989 -2.523 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.037 2.836 -3.989 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.944 3.848 -1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.461 3.516 -1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.372 2.003 -1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.791 2.904 -3.158 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.430 5.663 -1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.785 5.186 -3.671 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.083 5.824 -2.634 1.00 0.00 H new ATOM 529 N GLU A 33 -7.405 0.676 -2.691 1.00 0.00 N ATOM 530 CA GLU A 33 -7.718 -0.627 -2.112 1.00 0.00 C ATOM 531 C GLU A 33 -6.394 -1.355 -1.836 1.00 0.00 C ATOM 532 O GLU A 33 -5.314 -0.812 -2.100 1.00 0.00 O ATOM 533 CB GLU A 33 -8.612 -1.390 -3.105 1.00 0.00 C ATOM 534 CG GLU A 33 -9.459 -2.509 -2.487 1.00 0.00 C ATOM 535 CD GLU A 33 -10.465 -1.997 -1.448 1.00 0.00 C ATOM 536 OE1 GLU A 33 -11.494 -1.407 -1.843 1.00 0.00 O ATOM 537 OE2 GLU A 33 -10.246 -2.240 -0.242 1.00 0.00 O ATOM 0 H GLU A 33 -6.600 0.655 -3.317 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.259 -0.543 -1.170 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.278 -0.678 -3.592 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.981 -1.820 -3.883 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.997 -3.029 -3.279 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.800 -3.239 -2.017 1.00 0.00 H new ATOM 544 N SER A 34 -6.436 -2.582 -1.315 1.00 0.00 N ATOM 545 CA SER A 34 -5.233 -3.375 -1.100 1.00 0.00 C ATOM 546 C SER A 34 -5.461 -4.856 -1.392 1.00 0.00 C ATOM 547 O SER A 34 -6.601 -5.329 -1.409 1.00 0.00 O ATOM 548 CB SER A 34 -4.704 -3.183 0.323 1.00 0.00 C ATOM 549 OG SER A 34 -4.529 -1.810 0.613 1.00 0.00 O ATOM 0 H SER A 34 -7.299 -3.048 -1.033 1.00 0.00 H new ATOM 0 HA SER A 34 -4.483 -3.017 -1.805 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.400 -3.624 1.037 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.755 -3.707 0.437 1.00 0.00 H new ATOM 0 HG SER A 34 -4.962 -1.598 1.466 1.00 0.00 H new ATOM 555 N ALA A 35 -4.351 -5.558 -1.624 1.00 0.00 N ATOM 556 CA ALA A 35 -4.314 -6.998 -1.826 1.00 0.00 C ATOM 557 C ALA A 35 -2.944 -7.500 -1.351 1.00 0.00 C ATOM 558 O ALA A 35 -2.086 -6.711 -0.922 1.00 0.00 O ATOM 559 CB ALA A 35 -4.543 -7.320 -3.311 1.00 0.00 C ATOM 0 H ALA A 35 -3.430 -5.124 -1.677 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.101 -7.495 -1.259 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.514 -8.400 -3.458 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.516 -6.937 -3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.762 -6.852 -3.910 1.00 0.00 H new ATOM 565 N GLY A 36 -2.687 -8.803 -1.469 1.00 0.00 N ATOM 566 CA GLY A 36 -1.351 -9.322 -1.240 1.00 0.00 C ATOM 567 C GLY A 36 -1.034 -10.615 -1.960 1.00 0.00 C ATOM 568 O GLY A 36 -1.928 -11.325 -2.420 1.00 0.00 O ATOM 0 H GLY A 36 -3.382 -9.506 -1.719 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.627 -8.567 -1.546 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.217 -9.478 -0.170 1.00 0.00 H new ATOM 572 N LEU A 37 0.268 -10.884 -2.062 1.00 0.00 N ATOM 573 CA LEU A 37 0.812 -11.983 -2.863 1.00 0.00 C ATOM 574 C LEU A 37 0.373 -13.339 -2.305 1.00 0.00 C ATOM 575 O LEU A 37 0.058 -14.250 -3.070 1.00 0.00 O ATOM 576 CB LEU A 37 2.352 -11.912 -2.882 1.00 0.00 C ATOM 577 CG LEU A 37 2.956 -10.572 -3.349 1.00 0.00 C ATOM 578 CD1 LEU A 37 4.477 -10.623 -3.205 1.00 0.00 C ATOM 579 CD2 LEU A 37 2.598 -10.229 -4.799 1.00 0.00 C ATOM 0 H LEU A 37 0.985 -10.338 -1.584 1.00 0.00 H new ATOM 0 HA LEU A 37 0.427 -11.882 -3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.719 -12.124 -1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.725 -12.703 -3.532 1.00 0.00 H new ATOM 0 HG LEU A 37 2.531 -9.792 -2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.906 -9.677 -3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.738 -10.795 -2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.873 -11.433 -3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.051 -9.276 -5.070 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.973 -11.010 -5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.515 -10.157 -4.899 1.00 0.00 H new ATOM 591 N GLY A 38 0.319 -13.446 -0.977 1.00 0.00 N ATOM 592 CA GLY A 38 -0.122 -14.628 -0.250 1.00 0.00 C ATOM 593 C GLY A 38 -0.941 -14.129 0.935 1.00 0.00 C ATOM 594 O GLY A 38 -0.603 -14.382 2.094 1.00 0.00 O ATOM 0 H GLY A 38 0.592 -12.682 -0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.721 -15.276 -0.890 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.731 -15.216 0.089 1.00 0.00 H new ATOM 598 N ALA A 39 -1.956 -13.318 0.617 1.00 0.00 N ATOM 599 CA ALA A 39 -2.763 -12.631 1.614 1.00 0.00 C ATOM 600 C ALA A 39 -3.618 -13.608 2.422 1.00 0.00 C ATOM 601 O ALA A 39 -3.827 -14.760 2.034 1.00 0.00 O ATOM 602 CB ALA A 39 -3.678 -11.625 0.924 1.00 0.00 C ATOM 0 H ALA A 39 -2.236 -13.123 -0.344 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.083 -12.124 2.299 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.282 -11.111 1.671 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.075 -10.897 0.381 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.332 -12.147 0.225 1.00 0.00 H new ATOM 608 N LEU A 40 -4.184 -13.088 3.510 1.00 0.00 N ATOM 609 CA LEU A 40 -5.026 -13.847 4.421 1.00 0.00 C ATOM 610 C LEU A 40 -6.466 -13.415 4.144 1.00 0.00 C ATOM 611 O LEU A 40 -7.002 -12.534 4.814 1.00 0.00 O ATOM 612 CB LEU A 40 -4.611 -13.632 5.888 1.00 0.00 C ATOM 613 CG LEU A 40 -3.249 -14.233 6.301 1.00 0.00 C ATOM 614 CD1 LEU A 40 -2.043 -13.374 5.890 1.00 0.00 C ATOM 615 CD2 LEU A 40 -3.208 -14.407 7.826 1.00 0.00 C ATOM 0 H LEU A 40 -4.066 -12.113 3.784 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.920 -14.919 4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.588 -12.560 6.085 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.383 -14.057 6.529 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.169 -15.186 5.778 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.123 -13.860 6.214 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.031 -13.259 4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.119 -12.393 6.358 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.247 -14.831 8.118 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.338 -13.437 8.306 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.010 -15.076 8.138 1.00 0.00 H new ATOM 627 N VAL A 41 -7.043 -13.982 3.083 1.00 0.00 N ATOM 628 CA VAL A 41 -8.388 -13.659 2.611 1.00 0.00 C ATOM 629 C VAL A 41 -9.392 -13.596 3.775 1.00 0.00 C ATOM 630 O VAL A 41 -9.567 -14.572 4.509 1.00 0.00 O ATOM 631 CB VAL A 41 -8.827 -14.666 1.519 1.00 0.00 C ATOM 632 CG1 VAL A 41 -10.085 -14.166 0.792 1.00 0.00 C ATOM 633 CG2 VAL A 41 -7.729 -14.917 0.468 1.00 0.00 C ATOM 0 H VAL A 41 -6.578 -14.692 2.518 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.369 -12.666 2.163 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.032 -15.602 2.038 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.376 -14.888 0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.897 -14.049 1.509 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.875 -13.206 0.321 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.091 -15.630 -0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.476 -13.978 -0.025 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.842 -15.320 0.957 1.00 0.00 H new ATOM 643 N GLY A 42 -10.054 -12.444 3.928 1.00 0.00 N ATOM 644 CA GLY A 42 -11.135 -12.257 4.891 1.00 0.00 C ATOM 645 C GLY A 42 -10.686 -12.203 6.356 1.00 0.00 C ATOM 646 O GLY A 42 -11.544 -12.182 7.242 1.00 0.00 O ATOM 0 H GLY A 42 -9.849 -11.609 3.379 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.660 -11.332 4.652 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.852 -13.070 4.775 1.00 0.00 H new ATOM 650 N LYS A 43 -9.377 -12.185 6.643 1.00 0.00 N ATOM 651 CA LYS A 43 -8.877 -12.258 8.020 1.00 0.00 C ATOM 652 C LYS A 43 -9.048 -10.941 8.786 1.00 0.00 C ATOM 653 O LYS A 43 -8.937 -10.947 10.013 1.00 0.00 O ATOM 654 CB LYS A 43 -7.417 -12.747 7.991 1.00 0.00 C ATOM 655 CG LYS A 43 -6.881 -13.279 9.335 1.00 0.00 C ATOM 656 CD LYS A 43 -5.952 -12.305 10.078 1.00 0.00 C ATOM 657 CE LYS A 43 -5.552 -12.926 11.425 1.00 0.00 C ATOM 658 NZ LYS A 43 -4.678 -12.035 12.230 1.00 0.00 N ATOM 0 H LYS A 43 -8.644 -12.120 5.936 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.479 -12.976 8.576 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.329 -13.536 7.244 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.781 -11.925 7.663 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.726 -13.519 9.980 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.343 -14.210 9.155 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.064 -12.100 9.479 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.456 -11.352 10.238 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.452 -13.157 11.995 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.036 -13.870 11.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.438 -12.502 13.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.806 -11.834 11.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.177 -11.144 12.426 1.00 0.00 H new ATOM 672 N GLY A 44 -9.343 -9.822 8.114 1.00 0.00 N ATOM 673 CA GLY A 44 -9.325 -8.503 8.737 1.00 0.00 C ATOM 674 C GLY A 44 -7.901 -7.945 8.776 1.00 0.00 C ATOM 675 O GLY A 44 -6.932 -8.668 8.527 1.00 0.00 O ATOM 0 H GLY A 44 -9.599 -9.810 7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.972 -7.824 8.182 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.724 -8.568 9.749 1.00 0.00 H new ATOM 679 N ALA A 45 -7.774 -6.651 9.085 1.00 0.00 N ATOM 680 CA ALA A 45 -6.470 -6.045 9.325 1.00 0.00 C ATOM 681 C ALA A 45 -5.913 -6.545 10.666 1.00 0.00 C ATOM 682 O ALA A 45 -6.659 -6.992 11.542 1.00 0.00 O ATOM 683 CB ALA A 45 -6.579 -4.515 9.288 1.00 0.00 C ATOM 0 H ALA A 45 -8.560 -6.007 9.174 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.776 -6.339 8.537 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.598 -4.076 9.469 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.943 -4.200 8.310 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.274 -4.181 10.059 1.00 0.00 H new ATOM 689 N ASP A 46 -4.596 -6.455 10.825 1.00 0.00 N ATOM 690 CA ASP A 46 -3.919 -6.873 12.046 1.00 0.00 C ATOM 691 C ASP A 46 -4.193 -5.864 13.168 1.00 0.00 C ATOM 692 O ASP A 46 -3.983 -4.669 12.945 1.00 0.00 O ATOM 693 CB ASP A 46 -2.411 -6.977 11.828 1.00 0.00 C ATOM 694 CG ASP A 46 -1.766 -7.497 13.114 1.00 0.00 C ATOM 695 OD1 ASP A 46 -1.822 -8.723 13.348 1.00 0.00 O ATOM 696 OD2 ASP A 46 -1.245 -6.678 13.911 1.00 0.00 O ATOM 0 H ASP A 46 -3.968 -6.089 10.109 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.304 -7.854 12.325 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.194 -7.649 10.998 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.999 -6.003 11.565 1.00 0.00 H new ATOM 701 N PRO A 47 -4.622 -6.290 14.371 1.00 0.00 N ATOM 702 CA PRO A 47 -4.907 -5.390 15.483 1.00 0.00 C ATOM 703 C PRO A 47 -3.805 -4.381 15.813 1.00 0.00 C ATOM 704 O PRO A 47 -4.120 -3.300 16.311 1.00 0.00 O ATOM 705 CB PRO A 47 -5.192 -6.294 16.685 1.00 0.00 C ATOM 706 CG PRO A 47 -5.760 -7.554 16.042 1.00 0.00 C ATOM 707 CD PRO A 47 -4.975 -7.655 14.737 1.00 0.00 C ATOM 0 HA PRO A 47 -5.750 -4.756 15.207 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.287 -6.505 17.255 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -5.903 -5.837 17.374 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.611 -8.431 16.672 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.832 -7.468 15.863 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.082 -8.267 14.866 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.574 -8.125 13.957 1.00 0.00 H new ATOM 715 N THR A 48 -2.532 -4.681 15.548 1.00 0.00 N ATOM 716 CA THR A 48 -1.440 -3.770 15.883 1.00 0.00 C ATOM 717 C THR A 48 -1.442 -2.608 14.884 1.00 0.00 C ATOM 718 O THR A 48 -1.330 -1.449 15.288 1.00 0.00 O ATOM 719 CB THR A 48 -0.083 -4.510 15.891 1.00 0.00 C ATOM 720 OG1 THR A 48 -0.247 -5.896 16.142 1.00 0.00 O ATOM 721 CG2 THR A 48 0.870 -3.930 16.940 1.00 0.00 C ATOM 0 H THR A 48 -2.234 -5.549 15.102 1.00 0.00 H new ATOM 0 HA THR A 48 -1.588 -3.375 16.888 1.00 0.00 H new ATOM 0 HB THR A 48 0.347 -4.371 14.899 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.676 -6.320 15.369 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.813 -4.476 16.916 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.054 -2.878 16.722 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.422 -4.023 17.929 1.00 0.00 H new ATOM 729 N ALA A 49 -1.658 -2.905 13.595 1.00 0.00 N ATOM 730 CA ALA A 49 -1.784 -1.885 12.565 1.00 0.00 C ATOM 731 C ALA A 49 -3.013 -1.016 12.839 1.00 0.00 C ATOM 732 O ALA A 49 -2.909 0.212 12.807 1.00 0.00 O ATOM 733 CB ALA A 49 -1.888 -2.561 11.193 1.00 0.00 C ATOM 0 H ALA A 49 -1.749 -3.859 13.246 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.904 -1.241 12.574 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.983 -1.800 10.419 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.992 -3.155 11.011 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -2.763 -3.210 11.173 1.00 0.00 H new ATOM 739 N ILE A 50 -4.153 -1.642 13.163 1.00 0.00 N ATOM 740 CA ILE A 50 -5.376 -0.921 13.510 1.00 0.00 C ATOM 741 C ILE A 50 -5.087 0.002 14.695 1.00 0.00 C ATOM 742 O ILE A 50 -5.413 1.183 14.619 1.00 0.00 O ATOM 743 CB ILE A 50 -6.543 -1.886 13.829 1.00 0.00 C ATOM 744 CG1 ILE A 50 -6.863 -2.835 12.650 1.00 0.00 C ATOM 745 CG2 ILE A 50 -7.811 -1.095 14.215 1.00 0.00 C ATOM 746 CD1 ILE A 50 -7.908 -3.911 12.980 1.00 0.00 C ATOM 0 H ILE A 50 -4.249 -2.657 13.191 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.690 -0.328 12.651 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.221 -2.499 14.671 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.220 -2.243 11.807 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.943 -3.323 12.330 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.621 -1.791 14.436 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.606 -0.486 15.095 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.103 -0.449 13.387 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.077 -4.535 12.103 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.546 -4.530 13.801 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.843 -3.433 13.271 1.00 0.00 H new ATOM 758 N SER A 51 -4.467 -0.503 15.767 1.00 0.00 N ATOM 759 CA SER A 51 -4.235 0.276 16.978 1.00 0.00 C ATOM 760 C SER A 51 -3.350 1.488 16.690 1.00 0.00 C ATOM 761 O SER A 51 -3.674 2.591 17.124 1.00 0.00 O ATOM 762 CB SER A 51 -3.596 -0.595 18.062 1.00 0.00 C ATOM 763 OG SER A 51 -4.414 -1.698 18.406 1.00 0.00 O ATOM 0 H SER A 51 -4.115 -1.459 15.815 1.00 0.00 H new ATOM 0 HA SER A 51 -5.201 0.633 17.336 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.628 -0.956 17.714 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.410 0.009 18.950 1.00 0.00 H new ATOM 0 HG SER A 51 -4.603 -2.228 17.604 1.00 0.00 H new ATOM 769 N VAL A 52 -2.256 1.314 15.942 1.00 0.00 N ATOM 770 CA VAL A 52 -1.354 2.415 15.624 1.00 0.00 C ATOM 771 C VAL A 52 -2.076 3.449 14.747 1.00 0.00 C ATOM 772 O VAL A 52 -1.922 4.648 14.983 1.00 0.00 O ATOM 773 CB VAL A 52 -0.052 1.853 15.012 1.00 0.00 C ATOM 774 CG1 VAL A 52 0.861 2.931 14.414 1.00 0.00 C ATOM 775 CG2 VAL A 52 0.749 1.114 16.101 1.00 0.00 C ATOM 0 H VAL A 52 -1.977 0.416 15.546 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.058 2.951 16.526 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.360 1.189 14.205 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.756 2.463 14.003 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.330 3.458 13.621 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.147 3.639 15.192 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.668 0.717 15.670 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.995 1.807 16.905 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.151 0.294 16.499 1.00 0.00 H new ATOM 785 N ALA A 53 -2.910 3.035 13.786 1.00 0.00 N ATOM 786 CA ALA A 53 -3.640 3.989 12.958 1.00 0.00 C ATOM 787 C ALA A 53 -4.715 4.709 13.779 1.00 0.00 C ATOM 788 O ALA A 53 -4.853 5.929 13.675 1.00 0.00 O ATOM 789 CB ALA A 53 -4.251 3.258 11.770 1.00 0.00 C ATOM 0 H ALA A 53 -3.092 2.055 13.567 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.951 4.748 12.588 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.798 3.967 11.148 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.459 2.795 11.181 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.934 2.488 12.129 1.00 0.00 H new ATOM 795 N ALA A 54 -5.441 3.977 14.627 1.00 0.00 N ATOM 796 CA ALA A 54 -6.422 4.559 15.535 1.00 0.00 C ATOM 797 C ALA A 54 -5.785 5.518 16.546 1.00 0.00 C ATOM 798 O ALA A 54 -6.419 6.504 16.913 1.00 0.00 O ATOM 799 CB ALA A 54 -7.181 3.451 16.268 1.00 0.00 C ATOM 0 H ALA A 54 -5.362 2.963 14.701 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.116 5.142 14.930 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.911 3.896 16.944 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.695 2.821 15.542 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.478 2.846 16.841 1.00 0.00 H new ATOM 805 N GLU A 55 -4.540 5.298 16.980 1.00 0.00 N ATOM 806 CA GLU A 55 -3.836 6.236 17.852 1.00 0.00 C ATOM 807 C GLU A 55 -3.644 7.584 17.135 1.00 0.00 C ATOM 808 O GLU A 55 -3.783 8.643 17.745 1.00 0.00 O ATOM 809 CB GLU A 55 -2.496 5.607 18.273 1.00 0.00 C ATOM 810 CG GLU A 55 -1.746 6.394 19.353 1.00 0.00 C ATOM 811 CD GLU A 55 -2.468 6.376 20.714 1.00 0.00 C ATOM 812 OE1 GLU A 55 -2.282 5.413 21.493 1.00 0.00 O ATOM 813 OE2 GLU A 55 -3.209 7.332 21.031 1.00 0.00 O ATOM 0 H GLU A 55 -3.997 4.469 16.737 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.421 6.435 18.750 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.680 4.596 18.637 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.857 5.518 17.394 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.746 5.977 19.472 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.624 7.426 19.025 1.00 0.00 H new ATOM 820 N HIS A 56 -3.420 7.546 15.817 1.00 0.00 N ATOM 821 CA HIS A 56 -3.397 8.711 14.933 1.00 0.00 C ATOM 822 C HIS A 56 -4.809 9.100 14.442 1.00 0.00 C ATOM 823 O HIS A 56 -4.942 9.912 13.525 1.00 0.00 O ATOM 824 CB HIS A 56 -2.431 8.424 13.776 1.00 0.00 C ATOM 825 CG HIS A 56 -0.980 8.545 14.184 1.00 0.00 C ATOM 826 ND1 HIS A 56 -0.161 9.630 13.955 1.00 0.00 N ATOM 827 CD2 HIS A 56 -0.243 7.632 14.893 1.00 0.00 C ATOM 828 CE1 HIS A 56 1.036 9.374 14.510 1.00 0.00 C ATOM 829 NE2 HIS A 56 1.036 8.165 15.102 1.00 0.00 N ATOM 0 H HIS A 56 -3.244 6.672 15.322 1.00 0.00 H new ATOM 0 HA HIS A 56 -3.041 9.579 15.488 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -2.615 7.419 13.395 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.633 9.116 12.959 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -0.589 6.667 15.232 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.881 10.046 14.485 1.00 0.00 H new ATOM 0 HE2 HIS A 56 1.810 7.726 15.601 1.00 0.00 H new ATOM 837 N GLN A 57 -5.857 8.546 15.066 1.00 0.00 N ATOM 838 CA GLN A 57 -7.261 8.855 14.783 1.00 0.00 C ATOM 839 C GLN A 57 -7.647 8.609 13.317 1.00 0.00 C ATOM 840 O GLN A 57 -8.540 9.275 12.786 1.00 0.00 O ATOM 841 CB GLN A 57 -7.623 10.260 15.318 1.00 0.00 C ATOM 842 CG GLN A 57 -7.344 10.456 16.821 1.00 0.00 C ATOM 843 CD GLN A 57 -8.346 9.721 17.712 1.00 0.00 C ATOM 844 OE1 GLN A 57 -9.336 10.292 18.163 1.00 0.00 O ATOM 845 NE2 GLN A 57 -8.125 8.447 17.992 1.00 0.00 N ATOM 0 H GLN A 57 -5.746 7.850 15.803 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.884 8.147 15.330 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.062 11.006 14.756 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -8.680 10.447 15.129 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.337 10.104 17.048 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.370 11.520 17.055 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.302 7.977 17.615 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -8.778 7.934 18.585 1.00 0.00 H new ATOM 854 N LEU A 58 -6.995 7.638 12.668 1.00 0.00 N ATOM 855 CA LEU A 58 -7.381 7.185 11.338 1.00 0.00 C ATOM 856 C LEU A 58 -8.260 5.944 11.508 1.00 0.00 C ATOM 857 O LEU A 58 -7.897 5.024 12.247 1.00 0.00 O ATOM 858 CB LEU A 58 -6.124 6.873 10.504 1.00 0.00 C ATOM 859 CG LEU A 58 -6.222 7.379 9.055 1.00 0.00 C ATOM 860 CD1 LEU A 58 -4.959 6.967 8.294 1.00 0.00 C ATOM 861 CD2 LEU A 58 -7.480 6.898 8.320 1.00 0.00 C ATOM 0 H LEU A 58 -6.187 7.149 13.054 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.938 7.957 10.808 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.256 7.326 10.983 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.958 5.796 10.496 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.304 8.465 9.095 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.022 7.323 7.266 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.085 7.404 8.776 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.870 5.881 8.298 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.482 7.294 7.304 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.487 5.809 8.285 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -8.367 7.250 8.848 1.00 0.00 H new ATOM 873 N SER A 59 -9.414 5.917 10.843 1.00 0.00 N ATOM 874 CA SER A 59 -10.418 4.865 10.964 1.00 0.00 C ATOM 875 C SER A 59 -10.014 3.616 10.163 1.00 0.00 C ATOM 876 O SER A 59 -10.628 3.286 9.145 1.00 0.00 O ATOM 877 CB SER A 59 -11.781 5.425 10.523 1.00 0.00 C ATOM 878 OG SER A 59 -12.058 6.655 11.180 1.00 0.00 O ATOM 0 H SER A 59 -9.683 6.649 10.186 1.00 0.00 H new ATOM 0 HA SER A 59 -10.493 4.546 12.004 1.00 0.00 H new ATOM 0 HB2 SER A 59 -11.785 5.575 9.443 1.00 0.00 H new ATOM 0 HB3 SER A 59 -12.566 4.703 10.748 1.00 0.00 H new ATOM 0 HG SER A 59 -12.928 6.995 10.884 1.00 0.00 H new ATOM 884 N LEU A 60 -8.980 2.902 10.618 1.00 0.00 N ATOM 885 CA LEU A 60 -8.509 1.659 9.993 1.00 0.00 C ATOM 886 C LEU A 60 -9.252 0.443 10.592 1.00 0.00 C ATOM 887 O LEU A 60 -8.765 -0.679 10.521 1.00 0.00 O ATOM 888 CB LEU A 60 -6.973 1.606 10.169 1.00 0.00 C ATOM 889 CG LEU A 60 -6.207 0.388 9.601 1.00 0.00 C ATOM 890 CD1 LEU A 60 -6.628 -0.016 8.177 1.00 0.00 C ATOM 891 CD2 LEU A 60 -4.701 0.656 9.576 1.00 0.00 C ATOM 0 H LEU A 60 -8.439 3.172 11.440 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.730 1.630 8.926 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.556 2.503 9.711 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.759 1.664 11.236 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.460 -0.432 10.274 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.043 -0.877 7.855 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.687 -0.274 8.170 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.453 0.817 7.496 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.183 -0.214 9.173 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.496 1.523 8.948 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.349 0.850 10.589 1.00 0.00 H new ATOM 903 N GLU A 61 -10.413 0.655 11.224 1.00 0.00 N ATOM 904 CA GLU A 61 -11.106 -0.369 12.016 1.00 0.00 C ATOM 905 C GLU A 61 -11.391 -1.705 11.304 1.00 0.00 C ATOM 906 O GLU A 61 -11.603 -2.711 11.985 1.00 0.00 O ATOM 907 CB GLU A 61 -12.391 0.234 12.609 1.00 0.00 C ATOM 908 CG GLU A 61 -13.439 0.619 11.551 1.00 0.00 C ATOM 909 CD GLU A 61 -14.698 1.220 12.202 1.00 0.00 C ATOM 910 OE1 GLU A 61 -14.759 2.455 12.397 1.00 0.00 O ATOM 911 OE2 GLU A 61 -15.650 0.467 12.511 1.00 0.00 O ATOM 0 H GLU A 61 -10.902 1.550 11.200 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.406 -0.652 12.802 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.833 -0.483 13.301 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.132 1.119 13.190 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.008 1.339 10.855 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.713 -0.262 10.970 1.00 0.00 H new ATOM 918 N GLY A 62 -11.380 -1.755 9.967 1.00 0.00 N ATOM 919 CA GLY A 62 -11.446 -2.998 9.230 1.00 0.00 C ATOM 920 C GLY A 62 -11.036 -2.762 7.783 1.00 0.00 C ATOM 921 O GLY A 62 -11.273 -1.693 7.212 1.00 0.00 O ATOM 0 H GLY A 62 -11.325 -0.926 9.375 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.789 -3.738 9.688 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -12.458 -3.402 9.270 1.00 0.00 H new ATOM 925 N HIS A 63 -10.415 -3.786 7.211 1.00 0.00 N ATOM 926 CA HIS A 63 -10.093 -3.934 5.801 1.00 0.00 C ATOM 927 C HIS A 63 -10.140 -5.437 5.515 1.00 0.00 C ATOM 928 O HIS A 63 -9.457 -6.209 6.194 1.00 0.00 O ATOM 929 CB HIS A 63 -8.697 -3.350 5.510 1.00 0.00 C ATOM 930 CG HIS A 63 -8.244 -3.569 4.087 1.00 0.00 C ATOM 931 ND1 HIS A 63 -8.209 -2.635 3.076 1.00 0.00 N ATOM 932 CD2 HIS A 63 -7.781 -4.746 3.556 1.00 0.00 C ATOM 933 CE1 HIS A 63 -7.773 -3.245 1.967 1.00 0.00 C ATOM 934 NE2 HIS A 63 -7.498 -4.542 2.201 1.00 0.00 N ATOM 0 H HIS A 63 -10.103 -4.588 7.759 1.00 0.00 H new ATOM 0 HA HIS A 63 -10.795 -3.396 5.163 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -8.707 -2.281 5.720 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -7.973 -3.802 6.188 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -8.469 -1.652 3.158 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -7.656 -5.674 4.094 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -7.657 -2.760 1.009 1.00 0.00 H new ATOM 942 N CYS A 64 -10.933 -5.864 4.531 1.00 0.00 N ATOM 943 CA CYS A 64 -10.954 -7.257 4.095 1.00 0.00 C ATOM 944 C CYS A 64 -9.683 -7.539 3.290 1.00 0.00 C ATOM 945 O CYS A 64 -9.585 -7.122 2.133 1.00 0.00 O ATOM 946 CB CYS A 64 -12.207 -7.535 3.251 1.00 0.00 C ATOM 947 SG CYS A 64 -13.708 -7.330 4.257 1.00 0.00 S ATOM 0 H CYS A 64 -11.573 -5.258 4.019 1.00 0.00 H new ATOM 0 HA CYS A 64 -10.986 -7.915 4.963 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -12.237 -6.856 2.399 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -12.166 -8.548 2.850 1.00 0.00 H new ATOM 0 HG CYS A 64 -14.756 -7.567 3.526 1.00 0.00 H new ATOM 953 N ALA A 65 -8.697 -8.216 3.881 1.00 0.00 N ATOM 954 CA ALA A 65 -7.532 -8.679 3.135 1.00 0.00 C ATOM 955 C ALA A 65 -7.966 -9.717 2.090 1.00 0.00 C ATOM 956 O ALA A 65 -8.991 -10.383 2.265 1.00 0.00 O ATOM 957 CB ALA A 65 -6.495 -9.246 4.111 1.00 0.00 C ATOM 0 H ALA A 65 -8.684 -8.454 4.873 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.070 -7.848 2.602 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.624 -9.593 3.555 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.192 -8.469 4.813 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.931 -10.081 4.660 1.00 0.00 H new ATOM 963 N ARG A 66 -7.205 -9.851 0.999 1.00 0.00 N ATOM 964 CA ARG A 66 -7.600 -10.651 -0.166 1.00 0.00 C ATOM 965 C ARG A 66 -6.367 -10.938 -1.018 1.00 0.00 C ATOM 966 O ARG A 66 -5.490 -10.079 -1.137 1.00 0.00 O ATOM 967 CB ARG A 66 -8.680 -9.897 -0.973 1.00 0.00 C ATOM 968 CG ARG A 66 -8.177 -8.624 -1.681 1.00 0.00 C ATOM 969 CD ARG A 66 -9.313 -7.629 -1.946 1.00 0.00 C ATOM 970 NE ARG A 66 -9.621 -6.853 -0.733 1.00 0.00 N ATOM 971 CZ ARG A 66 -10.257 -5.681 -0.696 1.00 0.00 C ATOM 972 NH1 ARG A 66 -11.001 -5.277 -1.725 1.00 0.00 N ATOM 973 NH2 ARG A 66 -10.130 -4.916 0.378 1.00 0.00 N ATOM 0 H ARG A 66 -6.293 -9.405 0.898 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.025 -11.601 0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.095 -10.573 -1.720 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.494 -9.626 -0.301 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.412 -8.147 -1.069 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.705 -8.896 -2.625 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.030 -6.954 -2.753 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.203 -8.165 -2.276 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.321 -7.247 0.159 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.089 -5.866 -2.553 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.482 -4.379 -1.685 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.553 -5.226 1.160 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.609 -4.017 0.423 1.00 0.00 H new ATOM 987 N GLN A 67 -6.261 -12.140 -1.586 1.00 0.00 N ATOM 988 CA GLN A 67 -5.118 -12.485 -2.415 1.00 0.00 C ATOM 989 C GLN A 67 -5.265 -11.776 -3.748 1.00 0.00 C ATOM 990 O GLN A 67 -6.353 -11.723 -4.325 1.00 0.00 O ATOM 991 CB GLN A 67 -4.960 -14.007 -2.558 1.00 0.00 C ATOM 992 CG GLN A 67 -3.567 -14.337 -3.126 1.00 0.00 C ATOM 993 CD GLN A 67 -3.272 -15.829 -3.276 1.00 0.00 C ATOM 994 OE1 GLN A 67 -4.149 -16.690 -3.231 1.00 0.00 O ATOM 995 NE2 GLN A 67 -2.007 -16.159 -3.466 1.00 0.00 N ATOM 0 H GLN A 67 -6.952 -12.884 -1.485 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.196 -12.148 -1.941 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.091 -14.488 -1.589 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.734 -14.402 -3.216 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.466 -13.861 -4.102 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.811 -13.895 -2.476 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.291 -15.434 -3.501 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.747 -17.139 -3.578 1.00 0.00 H new ATOM 1004 N ILE A 68 -4.147 -11.227 -4.212 1.00 0.00 N ATOM 1005 CA ILE A 68 -4.071 -10.596 -5.507 1.00 0.00 C ATOM 1006 C ILE A 68 -4.363 -11.635 -6.595 1.00 0.00 C ATOM 1007 O ILE A 68 -4.069 -12.826 -6.456 1.00 0.00 O ATOM 1008 CB ILE A 68 -2.711 -9.888 -5.651 1.00 0.00 C ATOM 1009 CG1 ILE A 68 -2.778 -8.856 -6.798 1.00 0.00 C ATOM 1010 CG2 ILE A 68 -1.541 -10.869 -5.822 1.00 0.00 C ATOM 1011 CD1 ILE A 68 -1.606 -7.875 -6.788 1.00 0.00 C ATOM 0 H ILE A 68 -3.270 -11.212 -3.692 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.828 -9.820 -5.619 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.509 -9.361 -4.719 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.796 -9.382 -7.752 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.712 -8.299 -6.724 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.610 -10.311 -5.918 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.484 -11.523 -4.952 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.698 -11.470 -6.717 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.710 -7.176 -7.618 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.601 -7.324 -5.847 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.671 -8.425 -6.892 1.00 0.00 H new ATOM 1023 N SER A 69 -4.926 -11.147 -7.686 1.00 0.00 N ATOM 1024 CA SER A 69 -5.204 -11.923 -8.882 1.00 0.00 C ATOM 1025 C SER A 69 -4.892 -11.016 -10.077 1.00 0.00 C ATOM 1026 O SER A 69 -4.821 -9.792 -9.908 1.00 0.00 O ATOM 1027 CB SER A 69 -6.673 -12.363 -8.804 1.00 0.00 C ATOM 1028 OG SER A 69 -7.542 -11.240 -8.846 1.00 0.00 O ATOM 0 H SER A 69 -5.211 -10.171 -7.767 1.00 0.00 H new ATOM 0 HA SER A 69 -4.601 -12.825 -8.983 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.900 -13.035 -9.632 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.841 -12.923 -7.884 1.00 0.00 H new ATOM 0 HG SER A 69 -8.472 -11.544 -8.797 1.00 0.00 H new ATOM 1034 N ARG A 70 -4.732 -11.551 -11.297 1.00 0.00 N ATOM 1035 CA ARG A 70 -4.586 -10.668 -12.463 1.00 0.00 C ATOM 1036 C ARG A 70 -5.858 -9.838 -12.657 1.00 0.00 C ATOM 1037 O ARG A 70 -5.761 -8.678 -13.052 1.00 0.00 O ATOM 1038 CB ARG A 70 -4.177 -11.440 -13.733 1.00 0.00 C ATOM 1039 CG ARG A 70 -3.818 -10.456 -14.866 1.00 0.00 C ATOM 1040 CD ARG A 70 -3.348 -11.123 -16.161 1.00 0.00 C ATOM 1041 NE ARG A 70 -2.007 -11.726 -16.054 1.00 0.00 N ATOM 1042 CZ ARG A 70 -1.253 -12.127 -17.087 1.00 0.00 C ATOM 1043 NH1 ARG A 70 -1.549 -11.789 -18.341 1.00 0.00 N ATOM 1044 NH2 ARG A 70 -0.180 -12.869 -16.841 1.00 0.00 N ATOM 0 H ARG A 70 -4.701 -12.550 -11.498 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.765 -9.977 -12.269 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.324 -12.083 -13.517 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.993 -12.089 -14.051 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.690 -9.840 -15.085 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.035 -9.785 -14.513 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.064 -11.894 -16.445 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.343 -10.383 -16.961 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.622 -11.848 -15.118 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.367 -11.211 -18.534 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.958 -12.108 -19.108 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.056 -13.122 -15.882 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.409 -13.186 -17.611 1.00 0.00 H new ATOM 1058 N ARG A 71 -7.041 -10.376 -12.331 1.00 0.00 N ATOM 1059 CA ARG A 71 -8.281 -9.601 -12.374 1.00 0.00 C ATOM 1060 C ARG A 71 -8.181 -8.397 -11.445 1.00 0.00 C ATOM 1061 O ARG A 71 -8.588 -7.305 -11.851 1.00 0.00 O ATOM 1062 CB ARG A 71 -9.490 -10.506 -12.055 1.00 0.00 C ATOM 1063 CG ARG A 71 -10.844 -9.867 -12.418 1.00 0.00 C ATOM 1064 CD ARG A 71 -11.423 -8.929 -11.344 1.00 0.00 C ATOM 1065 NE ARG A 71 -12.513 -8.097 -11.885 1.00 0.00 N ATOM 1066 CZ ARG A 71 -12.374 -6.990 -12.630 1.00 0.00 C ATOM 1067 NH1 ARG A 71 -11.169 -6.503 -12.934 1.00 0.00 N ATOM 1068 NH2 ARG A 71 -13.460 -6.371 -13.081 1.00 0.00 N ATOM 0 H ARG A 71 -7.162 -11.345 -12.035 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.436 -9.213 -13.381 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -9.384 -11.446 -12.596 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.484 -10.747 -10.992 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -10.728 -9.307 -13.346 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -11.564 -10.662 -12.613 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -11.795 -9.519 -10.506 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -10.632 -8.287 -10.955 1.00 0.00 H new ATOM 0 HE ARG A 71 -13.466 -8.392 -11.672 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.329 -6.974 -12.598 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -11.088 -5.660 -13.502 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -14.385 -6.738 -12.860 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -13.368 -5.528 -13.648 1.00 0.00 H new ATOM 1082 N LEU A 72 -7.651 -8.565 -10.229 1.00 0.00 N ATOM 1083 CA LEU A 72 -7.427 -7.438 -9.329 1.00 0.00 C ATOM 1084 C LEU A 72 -6.398 -6.501 -9.935 1.00 0.00 C ATOM 1085 O LEU A 72 -6.677 -5.312 -9.974 1.00 0.00 O ATOM 1086 CB LEU A 72 -6.987 -7.882 -7.926 1.00 0.00 C ATOM 1087 CG LEU A 72 -8.178 -8.307 -7.048 1.00 0.00 C ATOM 1088 CD1 LEU A 72 -7.697 -9.167 -5.879 1.00 0.00 C ATOM 1089 CD2 LEU A 72 -8.951 -7.109 -6.484 1.00 0.00 C ATOM 0 H LEU A 72 -7.371 -9.470 -9.850 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.377 -6.918 -9.209 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.288 -8.713 -8.013 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.453 -7.066 -7.440 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.848 -8.875 -7.693 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.550 -9.460 -5.267 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.203 -10.059 -6.263 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.994 -8.596 -5.272 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.780 -7.466 -5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.284 -6.501 -5.872 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.339 -6.507 -7.306 1.00 0.00 H new ATOM 1101 N CYS A 73 -5.269 -6.992 -10.462 1.00 0.00 N ATOM 1102 CA CYS A 73 -4.283 -6.128 -11.112 1.00 0.00 C ATOM 1103 C CYS A 73 -4.945 -5.230 -12.167 1.00 0.00 C ATOM 1104 O CYS A 73 -4.700 -4.027 -12.179 1.00 0.00 O ATOM 1105 CB CYS A 73 -3.150 -6.951 -11.744 1.00 0.00 C ATOM 1106 SG CYS A 73 -2.291 -7.961 -10.502 1.00 0.00 S ATOM 0 H CYS A 73 -5.019 -7.981 -10.450 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.850 -5.490 -10.341 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.558 -7.597 -12.522 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.438 -6.282 -12.227 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.106 -8.859 -10.034 1.00 0.00 H new ATOM 1112 N ARG A 74 -5.826 -5.788 -13.010 1.00 0.00 N ATOM 1113 CA ARG A 74 -6.542 -5.026 -14.036 1.00 0.00 C ATOM 1114 C ARG A 74 -7.558 -4.040 -13.450 1.00 0.00 C ATOM 1115 O ARG A 74 -7.881 -3.055 -14.115 1.00 0.00 O ATOM 1116 CB ARG A 74 -7.250 -6.001 -14.993 1.00 0.00 C ATOM 1117 CG ARG A 74 -6.279 -6.793 -15.886 1.00 0.00 C ATOM 1118 CD ARG A 74 -7.046 -7.864 -16.671 1.00 0.00 C ATOM 1119 NE ARG A 74 -6.167 -8.601 -17.593 1.00 0.00 N ATOM 1120 CZ ARG A 74 -6.452 -9.762 -18.195 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -7.624 -10.363 -17.999 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -5.550 -10.318 -18.993 1.00 0.00 N ATOM 0 H ARG A 74 -6.060 -6.781 -12.997 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.803 -4.431 -14.573 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.849 -6.701 -14.410 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.940 -5.442 -15.625 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.772 -6.118 -16.575 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.508 -7.261 -15.274 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.510 -8.563 -15.975 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.852 -7.394 -17.235 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.256 -8.189 -17.792 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.318 -9.939 -17.384 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.828 -11.248 -18.464 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.650 -9.861 -19.142 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.756 -11.203 -19.457 1.00 0.00 H new ATOM 1136 N ASN A 75 -8.103 -4.300 -12.257 1.00 0.00 N ATOM 1137 CA ASN A 75 -9.188 -3.504 -11.683 1.00 0.00 C ATOM 1138 C ASN A 75 -8.751 -2.094 -11.264 1.00 0.00 C ATOM 1139 O ASN A 75 -9.601 -1.203 -11.181 1.00 0.00 O ATOM 1140 CB ASN A 75 -9.811 -4.228 -10.480 1.00 0.00 C ATOM 1141 CG ASN A 75 -11.099 -3.545 -10.023 1.00 0.00 C ATOM 1142 OD1 ASN A 75 -12.025 -3.360 -10.806 1.00 0.00 O ATOM 1143 ND2 ASN A 75 -11.208 -3.182 -8.754 1.00 0.00 N ATOM 0 H ASN A 75 -7.802 -5.072 -11.662 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.928 -3.389 -12.475 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -10.022 -5.264 -10.746 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.097 -4.249 -9.657 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -12.067 -2.745 -8.421 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -10.433 -3.340 -8.110 1.00 0.00 H new ATOM 1150 N TYR A 76 -7.456 -1.869 -11.022 1.00 0.00 N ATOM 1151 CA TYR A 76 -6.930 -0.571 -10.583 1.00 0.00 C ATOM 1152 C TYR A 76 -5.904 -0.094 -11.620 1.00 0.00 C ATOM 1153 O TYR A 76 -5.451 -0.886 -12.449 1.00 0.00 O ATOM 1154 CB TYR A 76 -6.355 -0.659 -9.153 1.00 0.00 C ATOM 1155 CG TYR A 76 -7.190 -1.470 -8.173 1.00 0.00 C ATOM 1156 CD1 TYR A 76 -7.083 -2.870 -8.144 1.00 0.00 C ATOM 1157 CD2 TYR A 76 -8.081 -0.838 -7.293 1.00 0.00 C ATOM 1158 CE1 TYR A 76 -7.917 -3.640 -7.320 1.00 0.00 C ATOM 1159 CE2 TYR A 76 -8.954 -1.595 -6.494 1.00 0.00 C ATOM 1160 CZ TYR A 76 -8.880 -3.004 -6.508 1.00 0.00 C ATOM 1161 OH TYR A 76 -9.768 -3.735 -5.782 1.00 0.00 O ATOM 0 H TYR A 76 -6.738 -2.586 -11.126 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.730 0.168 -10.526 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -5.357 -1.095 -9.205 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -6.241 0.351 -8.761 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.348 -3.361 -8.765 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -8.096 0.240 -7.229 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -7.822 -4.716 -7.307 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -9.682 -1.099 -5.869 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.362 -4.592 -5.535 1.00 0.00 H new ATOM 1171 N ASP A 77 -5.530 1.189 -11.594 1.00 0.00 N ATOM 1172 CA ASP A 77 -4.738 1.800 -12.675 1.00 0.00 C ATOM 1173 C ASP A 77 -3.354 2.279 -12.224 1.00 0.00 C ATOM 1174 O ASP A 77 -2.578 2.794 -13.029 1.00 0.00 O ATOM 1175 CB ASP A 77 -5.548 2.934 -13.317 1.00 0.00 C ATOM 1176 CG ASP A 77 -4.924 3.421 -14.637 1.00 0.00 C ATOM 1177 OD1 ASP A 77 -4.604 2.577 -15.506 1.00 0.00 O ATOM 1178 OD2 ASP A 77 -4.827 4.652 -14.840 1.00 0.00 O ATOM 0 H ASP A 77 -5.762 1.829 -10.835 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.540 1.026 -13.416 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.566 2.591 -13.503 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.616 3.769 -12.620 1.00 0.00 H new ATOM 1183 N LEU A 78 -3.009 2.083 -10.950 1.00 0.00 N ATOM 1184 CA LEU A 78 -1.672 2.318 -10.414 1.00 0.00 C ATOM 1185 C LEU A 78 -1.510 1.323 -9.271 1.00 0.00 C ATOM 1186 O LEU A 78 -2.430 1.185 -8.460 1.00 0.00 O ATOM 1187 CB LEU A 78 -1.552 3.788 -9.961 1.00 0.00 C ATOM 1188 CG LEU A 78 -0.143 4.411 -9.973 1.00 0.00 C ATOM 1189 CD1 LEU A 78 0.730 3.954 -8.804 1.00 0.00 C ATOM 1190 CD2 LEU A 78 0.592 4.183 -11.299 1.00 0.00 C ATOM 0 H LEU A 78 -3.669 1.749 -10.248 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.879 2.168 -11.147 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.195 4.393 -10.600 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.947 3.864 -8.948 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.314 5.481 -9.857 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.708 4.430 -8.873 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.255 4.235 -7.864 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.850 2.871 -8.841 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.579 4.643 -11.252 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.698 3.113 -11.477 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.022 4.631 -12.113 1.00 0.00 H new ATOM 1202 N ILE A 79 -0.383 0.608 -9.232 1.00 0.00 N ATOM 1203 CA ILE A 79 -0.199 -0.524 -8.336 1.00 0.00 C ATOM 1204 C ILE A 79 1.048 -0.237 -7.499 1.00 0.00 C ATOM 1205 O ILE A 79 2.166 -0.214 -8.015 1.00 0.00 O ATOM 1206 CB ILE A 79 -0.081 -1.837 -9.155 1.00 0.00 C ATOM 1207 CG1 ILE A 79 -1.113 -2.018 -10.298 1.00 0.00 C ATOM 1208 CG2 ILE A 79 -0.123 -3.044 -8.207 1.00 0.00 C ATOM 1209 CD1 ILE A 79 -2.582 -2.120 -9.873 1.00 0.00 C ATOM 0 H ILE A 79 0.425 0.802 -9.823 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.052 -0.657 -7.671 1.00 0.00 H new ATOM 0 HB ILE A 79 0.880 -1.766 -9.665 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.013 -1.179 -10.986 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.854 -2.919 -10.854 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.040 -3.964 -8.785 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.706 -2.982 -7.502 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.065 -3.044 -7.659 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.209 -2.244 -10.756 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.711 -2.978 -9.213 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.873 -1.211 -9.347 1.00 0.00 H new ATOM 1221 N LEU A 80 0.861 0.018 -6.208 1.00 0.00 N ATOM 1222 CA LEU A 80 1.953 0.310 -5.291 1.00 0.00 C ATOM 1223 C LEU A 80 2.407 -0.987 -4.635 1.00 0.00 C ATOM 1224 O LEU A 80 1.621 -1.914 -4.432 1.00 0.00 O ATOM 1225 CB LEU A 80 1.536 1.320 -4.207 1.00 0.00 C ATOM 1226 CG LEU A 80 1.282 2.770 -4.660 1.00 0.00 C ATOM 1227 CD1 LEU A 80 2.411 3.339 -5.527 1.00 0.00 C ATOM 1228 CD2 LEU A 80 -0.060 2.936 -5.365 1.00 0.00 C ATOM 0 H LEU A 80 -0.059 0.027 -5.768 1.00 0.00 H new ATOM 0 HA LEU A 80 2.768 0.757 -5.860 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.628 0.950 -3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.313 1.336 -3.442 1.00 0.00 H new ATOM 0 HG LEU A 80 1.255 3.350 -3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.170 4.363 -5.812 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.343 3.330 -4.962 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.524 2.730 -6.424 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.188 3.977 -5.663 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.088 2.299 -6.249 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.865 2.651 -4.687 1.00 0.00 H new ATOM 1240 N THR A 81 3.672 -1.002 -4.243 1.00 0.00 N ATOM 1241 CA THR A 81 4.331 -2.123 -3.585 1.00 0.00 C ATOM 1242 C THR A 81 5.231 -1.512 -2.505 1.00 0.00 C ATOM 1243 O THR A 81 5.389 -0.290 -2.485 1.00 0.00 O ATOM 1244 CB THR A 81 5.157 -2.885 -4.633 1.00 0.00 C ATOM 1245 OG1 THR A 81 6.106 -2.016 -5.206 1.00 0.00 O ATOM 1246 CG2 THR A 81 4.326 -3.475 -5.775 1.00 0.00 C ATOM 0 H THR A 81 4.292 -0.204 -4.379 1.00 0.00 H new ATOM 0 HA THR A 81 3.628 -2.825 -3.137 1.00 0.00 H new ATOM 0 HB THR A 81 5.620 -3.713 -4.097 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.647 -1.250 -5.610 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.983 -3.996 -6.471 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.597 -4.177 -5.370 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.806 -2.673 -6.298 1.00 0.00 H new ATOM 1254 N MET A 82 5.856 -2.279 -1.608 1.00 0.00 N ATOM 1255 CA MET A 82 6.709 -1.698 -0.561 1.00 0.00 C ATOM 1256 C MET A 82 8.077 -2.374 -0.466 1.00 0.00 C ATOM 1257 O MET A 82 8.964 -1.870 0.225 1.00 0.00 O ATOM 1258 CB MET A 82 5.961 -1.724 0.775 1.00 0.00 C ATOM 1259 CG MET A 82 4.664 -0.915 0.697 1.00 0.00 C ATOM 1260 SD MET A 82 3.965 -0.526 2.311 1.00 0.00 S ATOM 1261 CE MET A 82 2.339 0.066 1.790 1.00 0.00 C ATOM 0 H MET A 82 5.790 -3.297 -1.583 1.00 0.00 H new ATOM 0 HA MET A 82 6.920 -0.663 -0.830 1.00 0.00 H new ATOM 0 HB2 MET A 82 5.734 -2.755 1.048 1.00 0.00 H new ATOM 0 HB3 MET A 82 6.599 -1.319 1.560 1.00 0.00 H new ATOM 0 HG2 MET A 82 4.855 0.013 0.159 1.00 0.00 H new ATOM 0 HG3 MET A 82 3.930 -1.474 0.117 1.00 0.00 H new ATOM 0 HE1 MET A 82 1.704 0.203 2.665 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.448 1.017 1.268 1.00 0.00 H new ATOM 0 HE3 MET A 82 1.883 -0.664 1.122 1.00 0.00 H new ATOM 1271 N GLU A 83 8.275 -3.476 -1.194 1.00 0.00 N ATOM 1272 CA GLU A 83 9.558 -4.149 -1.299 1.00 0.00 C ATOM 1273 C GLU A 83 9.728 -4.551 -2.762 1.00 0.00 C ATOM 1274 O GLU A 83 8.756 -4.906 -3.436 1.00 0.00 O ATOM 1275 CB GLU A 83 9.578 -5.373 -0.375 1.00 0.00 C ATOM 1276 CG GLU A 83 9.527 -4.991 1.112 1.00 0.00 C ATOM 1277 CD GLU A 83 9.478 -6.235 1.997 1.00 0.00 C ATOM 1278 OE1 GLU A 83 10.440 -7.031 1.996 1.00 0.00 O ATOM 1279 OE2 GLU A 83 8.444 -6.473 2.661 1.00 0.00 O ATOM 0 H GLU A 83 7.534 -3.926 -1.732 1.00 0.00 H new ATOM 0 HA GLU A 83 10.379 -3.502 -0.992 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.730 -6.015 -0.611 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.480 -5.954 -0.567 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.402 -4.393 1.367 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.651 -4.371 1.302 1.00 0.00 H new ATOM 1286 N LYS A 84 10.957 -4.510 -3.270 1.00 0.00 N ATOM 1287 CA LYS A 84 11.233 -4.734 -4.689 1.00 0.00 C ATOM 1288 C LYS A 84 10.968 -6.189 -5.070 1.00 0.00 C ATOM 1289 O LYS A 84 10.563 -6.451 -6.200 1.00 0.00 O ATOM 1290 CB LYS A 84 12.665 -4.271 -5.015 1.00 0.00 C ATOM 1291 CG LYS A 84 12.776 -2.740 -4.867 1.00 0.00 C ATOM 1292 CD LYS A 84 14.220 -2.226 -4.831 1.00 0.00 C ATOM 1293 CE LYS A 84 14.182 -0.730 -4.479 1.00 0.00 C ATOM 1294 NZ LYS A 84 15.523 -0.143 -4.247 1.00 0.00 N ATOM 0 H LYS A 84 11.789 -4.321 -2.712 1.00 0.00 H new ATOM 0 HA LYS A 84 10.554 -4.137 -5.298 1.00 0.00 H new ATOM 0 HB2 LYS A 84 13.374 -4.761 -4.348 1.00 0.00 H new ATOM 0 HB3 LYS A 84 12.928 -4.566 -6.031 1.00 0.00 H new ATOM 0 HG2 LYS A 84 12.251 -2.265 -5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.268 -2.435 -3.952 1.00 0.00 H new ATOM 0 HD2 LYS A 84 14.802 -2.777 -4.092 1.00 0.00 H new ATOM 0 HD3 LYS A 84 14.703 -2.378 -5.796 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.691 -0.187 -5.287 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.573 -0.590 -3.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 15.425 0.754 -3.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 16.099 -0.804 -3.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 15.987 0.034 -5.161 1.00 0.00 H new ATOM 1308 N ARG A 85 11.077 -7.129 -4.122 1.00 0.00 N ATOM 1309 CA ARG A 85 10.628 -8.507 -4.337 1.00 0.00 C ATOM 1310 C ARG A 85 9.150 -8.559 -4.742 1.00 0.00 C ATOM 1311 O ARG A 85 8.779 -9.413 -5.544 1.00 0.00 O ATOM 1312 CB ARG A 85 10.922 -9.404 -3.112 1.00 0.00 C ATOM 1313 CG ARG A 85 10.386 -8.875 -1.766 1.00 0.00 C ATOM 1314 CD ARG A 85 10.475 -9.927 -0.652 1.00 0.00 C ATOM 1315 NE ARG A 85 9.949 -9.396 0.620 1.00 0.00 N ATOM 1316 CZ ARG A 85 9.208 -10.036 1.533 1.00 0.00 C ATOM 1317 NH1 ARG A 85 8.909 -11.325 1.396 1.00 0.00 N ATOM 1318 NH2 ARG A 85 8.759 -9.353 2.581 1.00 0.00 N ATOM 0 H ARG A 85 11.473 -6.958 -3.198 1.00 0.00 H new ATOM 0 HA ARG A 85 11.205 -8.910 -5.170 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.494 -10.390 -3.293 1.00 0.00 H new ATOM 0 HB3 ARG A 85 12.001 -9.535 -3.029 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.952 -7.990 -1.474 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.348 -8.564 -1.887 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.912 -10.815 -0.940 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.512 -10.236 -0.520 1.00 0.00 H new ATOM 0 HE ARG A 85 10.177 -8.424 0.829 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.246 -11.843 0.585 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.343 -11.795 2.102 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.981 -8.362 2.677 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.193 -9.820 3.289 1.00 0.00 H new ATOM 1332 N HIS A 86 8.304 -7.658 -4.229 1.00 0.00 N ATOM 1333 CA HIS A 86 6.894 -7.642 -4.595 1.00 0.00 C ATOM 1334 C HIS A 86 6.749 -7.149 -6.029 1.00 0.00 C ATOM 1335 O HIS A 86 5.950 -7.719 -6.766 1.00 0.00 O ATOM 1336 CB HIS A 86 6.059 -6.747 -3.665 1.00 0.00 C ATOM 1337 CG HIS A 86 6.111 -7.057 -2.190 1.00 0.00 C ATOM 1338 ND1 HIS A 86 6.649 -8.165 -1.572 1.00 0.00 N ATOM 1339 CD2 HIS A 86 5.593 -6.263 -1.203 1.00 0.00 C ATOM 1340 CE1 HIS A 86 6.479 -8.021 -0.247 1.00 0.00 C ATOM 1341 NE2 HIS A 86 5.823 -6.881 0.030 1.00 0.00 N ATOM 0 H HIS A 86 8.576 -6.935 -3.562 1.00 0.00 H new ATOM 0 HA HIS A 86 6.519 -8.661 -4.498 1.00 0.00 H new ATOM 0 HB2 HIS A 86 6.383 -5.716 -3.806 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.019 -6.801 -3.986 1.00 0.00 H new ATOM 0 HD1 HIS A 86 7.097 -8.954 -2.038 1.00 0.00 H new ATOM 0 HD2 HIS A 86 5.091 -5.318 -1.351 1.00 0.00 H new ATOM 0 HE1 HIS A 86 6.823 -8.726 0.495 1.00 0.00 H new ATOM 1349 N ILE A 87 7.529 -6.137 -6.435 1.00 0.00 N ATOM 1350 CA ILE A 87 7.525 -5.651 -7.814 1.00 0.00 C ATOM 1351 C ILE A 87 7.859 -6.828 -8.724 1.00 0.00 C ATOM 1352 O ILE A 87 7.104 -7.092 -9.656 1.00 0.00 O ATOM 1353 CB ILE A 87 8.503 -4.464 -8.021 1.00 0.00 C ATOM 1354 CG1 ILE A 87 8.143 -3.298 -7.080 1.00 0.00 C ATOM 1355 CG2 ILE A 87 8.492 -3.984 -9.486 1.00 0.00 C ATOM 1356 CD1 ILE A 87 9.090 -2.094 -7.139 1.00 0.00 C ATOM 0 H ILE A 87 8.173 -5.639 -5.820 1.00 0.00 H new ATOM 0 HA ILE A 87 6.539 -5.258 -8.061 1.00 0.00 H new ATOM 0 HB ILE A 87 9.508 -4.814 -7.783 1.00 0.00 H new ATOM 0 HG12 ILE A 87 7.135 -2.959 -7.318 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.120 -3.672 -6.056 1.00 0.00 H new ATOM 0 HG21 ILE A 87 9.186 -3.152 -9.601 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.795 -4.802 -10.139 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.487 -3.658 -9.755 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.750 -1.329 -6.441 1.00 0.00 H new ATOM 0 HD12 ILE A 87 10.098 -2.410 -6.869 1.00 0.00 H new ATOM 0 HD13 ILE A 87 9.097 -1.685 -8.150 1.00 0.00 H new ATOM 1368 N GLU A 88 8.940 -7.556 -8.435 1.00 0.00 N ATOM 1369 CA GLU A 88 9.388 -8.645 -9.298 1.00 0.00 C ATOM 1370 C GLU A 88 8.287 -9.701 -9.443 1.00 0.00 C ATOM 1371 O GLU A 88 7.937 -10.081 -10.562 1.00 0.00 O ATOM 1372 CB GLU A 88 10.684 -9.268 -8.756 1.00 0.00 C ATOM 1373 CG GLU A 88 11.892 -8.335 -8.928 1.00 0.00 C ATOM 1374 CD GLU A 88 13.191 -9.000 -8.437 1.00 0.00 C ATOM 1375 OE1 GLU A 88 13.506 -8.926 -7.228 1.00 0.00 O ATOM 1376 OE2 GLU A 88 13.924 -9.593 -9.263 1.00 0.00 O ATOM 0 H GLU A 88 9.520 -7.409 -7.609 1.00 0.00 H new ATOM 0 HA GLU A 88 9.600 -8.239 -10.287 1.00 0.00 H new ATOM 0 HB2 GLU A 88 10.557 -9.505 -7.700 1.00 0.00 H new ATOM 0 HB3 GLU A 88 10.877 -10.208 -9.272 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.996 -8.062 -9.978 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.722 -7.412 -8.374 1.00 0.00 H new ATOM 1383 N ARG A 89 7.697 -10.140 -8.327 1.00 0.00 N ATOM 1384 CA ARG A 89 6.666 -11.176 -8.354 1.00 0.00 C ATOM 1385 C ARG A 89 5.428 -10.689 -9.107 1.00 0.00 C ATOM 1386 O ARG A 89 4.911 -11.408 -9.962 1.00 0.00 O ATOM 1387 CB ARG A 89 6.334 -11.619 -6.919 1.00 0.00 C ATOM 1388 CG ARG A 89 7.509 -12.398 -6.300 1.00 0.00 C ATOM 1389 CD ARG A 89 7.258 -12.736 -4.828 1.00 0.00 C ATOM 1390 NE ARG A 89 8.384 -13.489 -4.246 1.00 0.00 N ATOM 1391 CZ ARG A 89 8.398 -14.079 -3.044 1.00 0.00 C ATOM 1392 NH1 ARG A 89 7.331 -14.025 -2.247 1.00 0.00 N ATOM 1393 NH2 ARG A 89 9.488 -14.723 -2.639 1.00 0.00 N ATOM 0 H ARG A 89 7.918 -9.792 -7.394 1.00 0.00 H new ATOM 0 HA ARG A 89 7.043 -12.045 -8.893 1.00 0.00 H new ATOM 0 HB2 ARG A 89 6.109 -10.745 -6.307 1.00 0.00 H new ATOM 0 HB3 ARG A 89 5.441 -12.243 -6.924 1.00 0.00 H new ATOM 0 HG2 ARG A 89 7.670 -13.318 -6.861 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.421 -11.808 -6.386 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.104 -11.816 -4.264 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.343 -13.322 -4.739 1.00 0.00 H new ATOM 0 HE ARG A 89 9.230 -13.568 -4.811 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.492 -13.530 -2.551 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.353 -14.478 -1.334 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.309 -14.766 -3.243 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.504 -15.174 -1.724 1.00 0.00 H new ATOM 1407 N LEU A 90 4.956 -9.472 -8.828 1.00 0.00 N ATOM 1408 CA LEU A 90 3.738 -8.937 -9.429 1.00 0.00 C ATOM 1409 C LEU A 90 3.933 -8.730 -10.932 1.00 0.00 C ATOM 1410 O LEU A 90 3.062 -9.104 -11.715 1.00 0.00 O ATOM 1411 CB LEU A 90 3.340 -7.643 -8.703 1.00 0.00 C ATOM 1412 CG LEU A 90 1.836 -7.319 -8.734 1.00 0.00 C ATOM 1413 CD1 LEU A 90 1.593 -6.101 -7.840 1.00 0.00 C ATOM 1414 CD2 LEU A 90 1.259 -7.036 -10.124 1.00 0.00 C ATOM 0 H LEU A 90 5.410 -8.831 -8.178 1.00 0.00 H new ATOM 0 HA LEU A 90 2.920 -9.648 -9.315 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.660 -7.714 -7.664 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.885 -6.811 -9.149 1.00 0.00 H new ATOM 0 HG LEU A 90 1.323 -8.214 -8.382 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.532 -5.851 -7.846 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.907 -6.329 -6.821 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.167 -5.254 -8.215 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.194 -6.819 -10.039 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.770 -6.179 -10.562 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.401 -7.908 -10.762 1.00 0.00 H new ATOM 1426 N CYS A 91 5.087 -8.205 -11.354 1.00 0.00 N ATOM 1427 CA CYS A 91 5.373 -7.987 -12.766 1.00 0.00 C ATOM 1428 C CYS A 91 5.331 -9.297 -13.549 1.00 0.00 C ATOM 1429 O CYS A 91 4.875 -9.293 -14.689 1.00 0.00 O ATOM 1430 CB CYS A 91 6.738 -7.311 -12.935 1.00 0.00 C ATOM 1431 SG CYS A 91 6.671 -5.612 -12.297 1.00 0.00 S ATOM 0 H CYS A 91 5.841 -7.923 -10.728 1.00 0.00 H new ATOM 0 HA CYS A 91 4.600 -7.331 -13.167 1.00 0.00 H new ATOM 0 HB2 CYS A 91 7.502 -7.878 -12.404 1.00 0.00 H new ATOM 0 HB3 CYS A 91 7.021 -7.302 -13.988 1.00 0.00 H new ATOM 0 HG CYS A 91 6.800 -5.629 -11.004 1.00 0.00 H new ATOM 1437 N GLU A 92 5.768 -10.415 -12.966 1.00 0.00 N ATOM 1438 CA GLU A 92 5.706 -11.702 -13.642 1.00 0.00 C ATOM 1439 C GLU A 92 4.292 -12.306 -13.601 1.00 0.00 C ATOM 1440 O GLU A 92 3.936 -13.056 -14.512 1.00 0.00 O ATOM 1441 CB GLU A 92 6.764 -12.664 -13.077 1.00 0.00 C ATOM 1442 CG GLU A 92 8.210 -12.189 -13.311 1.00 0.00 C ATOM 1443 CD GLU A 92 8.530 -11.911 -14.792 1.00 0.00 C ATOM 1444 OE1 GLU A 92 8.828 -12.867 -15.543 1.00 0.00 O ATOM 1445 OE2 GLU A 92 8.493 -10.728 -15.204 1.00 0.00 O ATOM 0 H GLU A 92 6.167 -10.450 -12.028 1.00 0.00 H new ATOM 0 HA GLU A 92 5.937 -11.538 -14.695 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.598 -12.786 -12.007 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.633 -13.645 -13.534 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.385 -11.282 -12.733 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.899 -12.945 -12.934 1.00 0.00 H new ATOM 1452 N MET A 93 3.464 -11.974 -12.599 1.00 0.00 N ATOM 1453 CA MET A 93 2.055 -12.383 -12.579 1.00 0.00 C ATOM 1454 C MET A 93 1.219 -11.603 -13.598 1.00 0.00 C ATOM 1455 O MET A 93 0.270 -12.167 -14.150 1.00 0.00 O ATOM 1456 CB MET A 93 1.434 -12.204 -11.184 1.00 0.00 C ATOM 1457 CG MET A 93 1.968 -13.221 -10.168 1.00 0.00 C ATOM 1458 SD MET A 93 1.051 -13.294 -8.601 1.00 0.00 S ATOM 1459 CE MET A 93 1.196 -11.580 -8.031 1.00 0.00 C ATOM 0 H MET A 93 3.749 -11.422 -11.790 1.00 0.00 H new ATOM 0 HA MET A 93 2.043 -13.440 -12.846 1.00 0.00 H new ATOM 0 HB2 MET A 93 1.639 -11.195 -10.825 1.00 0.00 H new ATOM 0 HB3 MET A 93 0.351 -12.302 -11.257 1.00 0.00 H new ATOM 0 HG2 MET A 93 1.955 -14.210 -10.626 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.010 -12.983 -9.952 1.00 0.00 H new ATOM 0 HE1 MET A 93 0.873 -11.513 -6.992 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.234 -11.257 -8.110 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.568 -10.937 -8.648 1.00 0.00 H new ATOM 1469 N ALA A 94 1.560 -10.337 -13.869 1.00 0.00 N ATOM 1470 CA ALA A 94 0.807 -9.483 -14.786 1.00 0.00 C ATOM 1471 C ALA A 94 1.756 -8.655 -15.673 1.00 0.00 C ATOM 1472 O ALA A 94 1.803 -7.428 -15.532 1.00 0.00 O ATOM 1473 CB ALA A 94 -0.171 -8.612 -13.976 1.00 0.00 C ATOM 0 H ALA A 94 2.371 -9.877 -13.454 1.00 0.00 H new ATOM 0 HA ALA A 94 0.220 -10.097 -15.469 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.736 -7.972 -14.654 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.859 -9.253 -13.425 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.388 -7.993 -13.275 1.00 0.00 H new ATOM 1479 N PRO A 95 2.516 -9.285 -16.595 1.00 0.00 N ATOM 1480 CA PRO A 95 3.448 -8.578 -17.474 1.00 0.00 C ATOM 1481 C PRO A 95 2.788 -7.447 -18.262 1.00 0.00 C ATOM 1482 O PRO A 95 3.410 -6.409 -18.478 1.00 0.00 O ATOM 1483 CB PRO A 95 4.038 -9.636 -18.412 1.00 0.00 C ATOM 1484 CG PRO A 95 3.873 -10.938 -17.635 1.00 0.00 C ATOM 1485 CD PRO A 95 2.568 -10.714 -16.876 1.00 0.00 C ATOM 0 HA PRO A 95 4.219 -8.089 -16.879 1.00 0.00 H new ATOM 0 HB2 PRO A 95 3.508 -9.668 -19.364 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.085 -9.433 -18.637 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.812 -11.800 -18.299 1.00 0.00 H new ATOM 0 HG3 PRO A 95 4.709 -11.115 -16.959 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.710 -11.028 -17.471 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.546 -11.295 -15.954 1.00 0.00 H new ATOM 1493 N GLU A 96 1.516 -7.623 -18.633 1.00 0.00 N ATOM 1494 CA GLU A 96 0.725 -6.628 -19.352 1.00 0.00 C ATOM 1495 C GLU A 96 0.591 -5.278 -18.622 1.00 0.00 C ATOM 1496 O GLU A 96 0.207 -4.291 -19.253 1.00 0.00 O ATOM 1497 CB GLU A 96 -0.657 -7.238 -19.663 1.00 0.00 C ATOM 1498 CG GLU A 96 -1.404 -7.755 -18.419 1.00 0.00 C ATOM 1499 CD GLU A 96 -2.794 -8.297 -18.768 1.00 0.00 C ATOM 1500 OE1 GLU A 96 -2.912 -9.494 -19.119 1.00 0.00 O ATOM 1501 OE2 GLU A 96 -3.796 -7.565 -18.631 1.00 0.00 O ATOM 0 H GLU A 96 1.000 -8.480 -18.436 1.00 0.00 H new ATOM 0 HA GLU A 96 1.256 -6.387 -20.273 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -1.272 -6.487 -20.158 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.530 -8.061 -20.367 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.817 -8.541 -17.944 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -1.501 -6.948 -17.693 1.00 0.00 H new ATOM 1508 N MET A 97 0.913 -5.206 -17.324 1.00 0.00 N ATOM 1509 CA MET A 97 0.807 -3.994 -16.508 1.00 0.00 C ATOM 1510 C MET A 97 2.077 -3.751 -15.684 1.00 0.00 C ATOM 1511 O MET A 97 2.059 -2.928 -14.769 1.00 0.00 O ATOM 1512 CB MET A 97 -0.443 -4.080 -15.613 1.00 0.00 C ATOM 1513 CG MET A 97 -1.736 -4.014 -16.433 1.00 0.00 C ATOM 1514 SD MET A 97 -3.258 -4.131 -15.462 1.00 0.00 S ATOM 1515 CE MET A 97 -3.249 -2.512 -14.644 1.00 0.00 C ATOM 0 H MET A 97 1.263 -6.009 -16.802 1.00 0.00 H new ATOM 0 HA MET A 97 0.702 -3.136 -17.173 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.420 -5.010 -15.045 1.00 0.00 H new ATOM 0 HB3 MET A 97 -0.429 -3.264 -14.890 1.00 0.00 H new ATOM 0 HG2 MET A 97 -1.749 -3.077 -16.990 1.00 0.00 H new ATOM 0 HG3 MET A 97 -1.726 -4.821 -17.166 1.00 0.00 H new ATOM 0 HE1 MET A 97 -4.199 -2.357 -14.133 1.00 0.00 H new ATOM 0 HE2 MET A 97 -2.436 -2.475 -13.919 1.00 0.00 H new ATOM 0 HE3 MET A 97 -3.106 -1.729 -15.389 1.00 0.00 H new ATOM 1525 N ARG A 98 3.194 -4.429 -15.990 1.00 0.00 N ATOM 1526 CA ARG A 98 4.423 -4.341 -15.192 1.00 0.00 C ATOM 1527 C ARG A 98 4.912 -2.899 -14.995 1.00 0.00 C ATOM 1528 O ARG A 98 5.390 -2.565 -13.913 1.00 0.00 O ATOM 1529 CB ARG A 98 5.504 -5.278 -15.764 1.00 0.00 C ATOM 1530 CG ARG A 98 6.058 -4.900 -17.149 1.00 0.00 C ATOM 1531 CD ARG A 98 6.805 -6.068 -17.813 1.00 0.00 C ATOM 1532 NE ARG A 98 7.972 -6.533 -17.032 1.00 0.00 N ATOM 1533 CZ ARG A 98 8.142 -7.749 -16.487 1.00 0.00 C ATOM 1534 NH1 ARG A 98 7.179 -8.657 -16.470 1.00 0.00 N ATOM 1535 NH2 ARG A 98 9.288 -8.096 -15.920 1.00 0.00 N ATOM 0 H ARG A 98 3.269 -5.051 -16.795 1.00 0.00 H new ATOM 0 HA ARG A 98 4.189 -4.688 -14.186 1.00 0.00 H new ATOM 0 HB2 ARG A 98 6.335 -5.315 -15.060 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.091 -6.285 -15.822 1.00 0.00 H new ATOM 0 HG2 ARG A 98 5.238 -4.583 -17.793 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.732 -4.049 -17.049 1.00 0.00 H new ATOM 0 HD2 ARG A 98 6.115 -6.900 -17.952 1.00 0.00 H new ATOM 0 HD3 ARG A 98 7.138 -5.761 -18.804 1.00 0.00 H new ATOM 0 HE ARG A 98 8.726 -5.860 -16.893 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.270 -8.444 -16.880 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.346 -9.570 -16.047 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.064 -7.434 -15.891 1.00 0.00 H new ATOM 0 HH22 ARG A 98 9.395 -9.025 -15.512 1.00 0.00 H new ATOM 1549 N GLY A 99 4.727 -2.022 -15.987 1.00 0.00 N ATOM 1550 CA GLY A 99 5.124 -0.619 -15.894 1.00 0.00 C ATOM 1551 C GLY A 99 4.343 0.170 -14.834 1.00 0.00 C ATOM 1552 O GLY A 99 4.860 1.157 -14.308 1.00 0.00 O ATOM 0 H GLY A 99 4.296 -2.269 -16.878 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.188 -0.565 -15.664 1.00 0.00 H new ATOM 0 HA3 GLY A 99 4.983 -0.145 -16.865 1.00 0.00 H new ATOM 1556 N LYS A 100 3.116 -0.247 -14.495 1.00 0.00 N ATOM 1557 CA LYS A 100 2.263 0.436 -13.514 1.00 0.00 C ATOM 1558 C LYS A 100 2.549 -0.028 -12.083 1.00 0.00 C ATOM 1559 O LYS A 100 1.945 0.509 -11.153 1.00 0.00 O ATOM 1560 CB LYS A 100 0.781 0.222 -13.872 1.00 0.00 C ATOM 1561 CG LYS A 100 0.419 0.907 -15.199 1.00 0.00 C ATOM 1562 CD LYS A 100 -1.045 0.652 -15.573 1.00 0.00 C ATOM 1563 CE LYS A 100 -1.391 1.441 -16.846 1.00 0.00 C ATOM 1564 NZ LYS A 100 -2.822 1.332 -17.219 1.00 0.00 N ATOM 0 H LYS A 100 2.683 -1.078 -14.899 1.00 0.00 H new ATOM 0 HA LYS A 100 2.492 1.501 -13.554 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.573 -0.846 -13.944 1.00 0.00 H new ATOM 0 HB3 LYS A 100 0.152 0.616 -13.074 1.00 0.00 H new ATOM 0 HG2 LYS A 100 0.595 1.980 -15.117 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.069 0.537 -15.992 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.210 -0.413 -15.736 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.699 0.955 -14.755 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.138 2.491 -16.697 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.777 1.079 -17.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.006 1.910 -18.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.053 0.339 -17.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.412 1.671 -16.433 1.00 0.00 H new ATOM 1578 N VAL A 101 3.437 -1.006 -11.899 1.00 0.00 N ATOM 1579 CA VAL A 101 3.852 -1.464 -10.582 1.00 0.00 C ATOM 1580 C VAL A 101 5.021 -0.573 -10.143 1.00 0.00 C ATOM 1581 O VAL A 101 5.988 -0.434 -10.898 1.00 0.00 O ATOM 1582 CB VAL A 101 4.253 -2.954 -10.649 1.00 0.00 C ATOM 1583 CG1 VAL A 101 4.472 -3.509 -9.238 1.00 0.00 C ATOM 1584 CG2 VAL A 101 3.189 -3.831 -11.332 1.00 0.00 C ATOM 0 H VAL A 101 3.888 -1.502 -12.667 1.00 0.00 H new ATOM 0 HA VAL A 101 3.044 -1.388 -9.855 1.00 0.00 H new ATOM 0 HB VAL A 101 5.169 -2.991 -11.239 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.754 -4.560 -9.300 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.267 -2.948 -8.746 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.551 -3.414 -8.663 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.528 -4.867 -11.349 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.252 -3.764 -10.778 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.032 -3.484 -12.353 1.00 0.00 H new ATOM 1594 N MET A 102 4.951 0.037 -8.952 1.00 0.00 N ATOM 1595 CA MET A 102 5.987 0.948 -8.454 1.00 0.00 C ATOM 1596 C MET A 102 6.119 0.850 -6.934 1.00 0.00 C ATOM 1597 O MET A 102 5.215 0.361 -6.253 1.00 0.00 O ATOM 1598 CB MET A 102 5.671 2.399 -8.859 1.00 0.00 C ATOM 1599 CG MET A 102 5.863 2.612 -10.364 1.00 0.00 C ATOM 1600 SD MET A 102 5.850 4.343 -10.907 1.00 0.00 S ATOM 1601 CE MET A 102 4.073 4.666 -10.816 1.00 0.00 C ATOM 0 H MET A 102 4.172 -0.089 -8.306 1.00 0.00 H new ATOM 0 HA MET A 102 6.935 0.652 -8.904 1.00 0.00 H new ATOM 0 HB2 MET A 102 4.644 2.640 -8.584 1.00 0.00 H new ATOM 0 HB3 MET A 102 6.318 3.082 -8.308 1.00 0.00 H new ATOM 0 HG2 MET A 102 6.811 2.162 -10.660 1.00 0.00 H new ATOM 0 HG3 MET A 102 5.076 2.076 -10.894 1.00 0.00 H new ATOM 0 HE1 MET A 102 3.677 4.807 -11.822 1.00 0.00 H new ATOM 0 HE2 MET A 102 3.573 3.820 -10.345 1.00 0.00 H new ATOM 0 HE3 MET A 102 3.896 5.566 -10.227 1.00 0.00 H new ATOM 1611 N LEU A 103 7.257 1.307 -6.403 1.00 0.00 N ATOM 1612 CA LEU A 103 7.558 1.239 -4.976 1.00 0.00 C ATOM 1613 C LEU A 103 6.940 2.442 -4.261 1.00 0.00 C ATOM 1614 O LEU A 103 7.095 3.577 -4.710 1.00 0.00 O ATOM 1615 CB LEU A 103 9.090 1.252 -4.796 1.00 0.00 C ATOM 1616 CG LEU A 103 9.561 0.741 -3.423 1.00 0.00 C ATOM 1617 CD1 LEU A 103 9.388 -0.777 -3.284 1.00 0.00 C ATOM 1618 CD2 LEU A 103 11.042 1.086 -3.250 1.00 0.00 C ATOM 0 H LEU A 103 7.998 1.737 -6.957 1.00 0.00 H new ATOM 0 HA LEU A 103 7.142 0.326 -4.549 1.00 0.00 H new ATOM 0 HB2 LEU A 103 9.543 0.639 -5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 103 9.454 2.269 -4.938 1.00 0.00 H new ATOM 0 HG LEU A 103 8.951 1.221 -2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.733 -1.094 -2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.335 -1.035 -3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 103 9.972 -1.282 -4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 103 11.388 0.729 -2.280 1.00 0.00 H new ATOM 0 HD22 LEU A 103 11.621 0.609 -4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 103 11.173 2.167 -3.306 1.00 0.00 H new ATOM 1630 N PHE A 104 6.289 2.224 -3.118 1.00 0.00 N ATOM 1631 CA PHE A 104 5.676 3.301 -2.347 1.00 0.00 C ATOM 1632 C PHE A 104 6.746 4.249 -1.798 1.00 0.00 C ATOM 1633 O PHE A 104 6.566 5.466 -1.846 1.00 0.00 O ATOM 1634 CB PHE A 104 4.795 2.716 -1.227 1.00 0.00 C ATOM 1635 CG PHE A 104 3.692 3.628 -0.717 1.00 0.00 C ATOM 1636 CD1 PHE A 104 2.817 4.231 -1.638 1.00 0.00 C ATOM 1637 CD2 PHE A 104 3.466 3.803 0.664 1.00 0.00 C ATOM 1638 CE1 PHE A 104 1.724 4.990 -1.200 1.00 0.00 C ATOM 1639 CE2 PHE A 104 2.367 4.566 1.107 1.00 0.00 C ATOM 1640 CZ PHE A 104 1.484 5.142 0.173 1.00 0.00 C ATOM 0 H PHE A 104 6.173 1.299 -2.704 1.00 0.00 H new ATOM 0 HA PHE A 104 5.033 3.888 -3.003 1.00 0.00 H new ATOM 0 HB2 PHE A 104 4.341 1.794 -1.590 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.436 2.446 -0.388 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.990 4.107 -2.697 1.00 0.00 H new ATOM 0 HD2 PHE A 104 4.135 3.352 1.382 1.00 0.00 H new ATOM 0 HE1 PHE A 104 1.067 5.457 -1.919 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.202 4.709 2.165 1.00 0.00 H new ATOM 0 HZ PHE A 104 0.624 5.699 0.514 1.00 0.00 H new ATOM 1650 N GLY A 105 7.895 3.701 -1.388 1.00 0.00 N ATOM 1651 CA GLY A 105 9.030 4.473 -0.890 1.00 0.00 C ATOM 1652 C GLY A 105 9.860 5.123 -2.001 1.00 0.00 C ATOM 1653 O GLY A 105 11.013 5.482 -1.759 1.00 0.00 O ATOM 0 H GLY A 105 8.061 2.695 -1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.664 5.250 -0.218 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.674 3.820 -0.301 1.00 0.00 H new ATOM 1657 N HIS A 106 9.331 5.252 -3.225 1.00 0.00 N ATOM 1658 CA HIS A 106 10.015 5.910 -4.336 1.00 0.00 C ATOM 1659 C HIS A 106 10.522 7.302 -3.938 1.00 0.00 C ATOM 1660 O HIS A 106 11.684 7.621 -4.196 1.00 0.00 O ATOM 1661 CB HIS A 106 9.083 5.960 -5.552 1.00 0.00 C ATOM 1662 CG HIS A 106 9.601 6.781 -6.707 1.00 0.00 C ATOM 1663 ND1 HIS A 106 10.539 6.398 -7.642 1.00 0.00 N ATOM 1664 CD2 HIS A 106 9.213 8.057 -7.028 1.00 0.00 C ATOM 1665 CE1 HIS A 106 10.716 7.419 -8.496 1.00 0.00 C ATOM 1666 NE2 HIS A 106 9.927 8.459 -8.164 1.00 0.00 N ATOM 0 H HIS A 106 8.406 4.897 -3.470 1.00 0.00 H new ATOM 0 HA HIS A 106 10.898 5.330 -4.604 1.00 0.00 H new ATOM 0 HB2 HIS A 106 8.904 4.942 -5.898 1.00 0.00 H new ATOM 0 HB3 HIS A 106 8.120 6.364 -5.239 1.00 0.00 H new ATOM 0 HD1 HIS A 106 11.015 5.497 -7.679 1.00 0.00 H new ATOM 0 HD2 HIS A 106 8.483 8.649 -6.497 1.00 0.00 H new ATOM 0 HE1 HIS A 106 11.397 7.408 -9.334 1.00 0.00 H new ATOM 1674 N TRP A 107 9.696 8.091 -3.240 1.00 0.00 N ATOM 1675 CA TRP A 107 10.047 9.446 -2.816 1.00 0.00 C ATOM 1676 C TRP A 107 11.017 9.471 -1.620 1.00 0.00 C ATOM 1677 O TRP A 107 11.254 10.531 -1.034 1.00 0.00 O ATOM 1678 CB TRP A 107 8.765 10.213 -2.482 1.00 0.00 C ATOM 1679 CG TRP A 107 7.577 9.960 -3.354 1.00 0.00 C ATOM 1680 CD1 TRP A 107 6.553 9.143 -3.032 1.00 0.00 C ATOM 1681 CD2 TRP A 107 7.245 10.523 -4.662 1.00 0.00 C ATOM 1682 NE1 TRP A 107 5.623 9.160 -4.041 1.00 0.00 N ATOM 1683 CE2 TRP A 107 5.989 9.986 -5.074 1.00 0.00 C ATOM 1684 CE3 TRP A 107 7.870 11.428 -5.548 1.00 0.00 C ATOM 1685 CZ2 TRP A 107 5.384 10.320 -6.293 1.00 0.00 C ATOM 1686 CZ3 TRP A 107 7.269 11.780 -6.773 1.00 0.00 C ATOM 1687 CH2 TRP A 107 6.028 11.228 -7.146 1.00 0.00 C ATOM 0 H TRP A 107 8.761 7.803 -2.953 1.00 0.00 H new ATOM 0 HA TRP A 107 10.572 9.926 -3.642 1.00 0.00 H new ATOM 0 HB2 TRP A 107 8.487 9.978 -1.454 1.00 0.00 H new ATOM 0 HB3 TRP A 107 8.989 11.279 -2.516 1.00 0.00 H new ATOM 0 HD1 TRP A 107 6.477 8.566 -2.122 1.00 0.00 H new ATOM 0 HE1 TRP A 107 4.758 8.620 -4.025 1.00 0.00 H new ATOM 0 HE3 TRP A 107 8.825 11.857 -5.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 4.436 9.885 -6.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 7.764 12.479 -7.431 1.00 0.00 H new ATOM 0 HH2 TRP A 107 5.574 11.503 -8.086 1.00 0.00 H new ATOM 1698 N ASP A 108 11.563 8.314 -1.244 1.00 0.00 N ATOM 1699 CA ASP A 108 12.600 8.185 -0.228 1.00 0.00 C ATOM 1700 C ASP A 108 13.798 7.498 -0.870 1.00 0.00 C ATOM 1701 O ASP A 108 14.332 6.525 -0.346 1.00 0.00 O ATOM 1702 CB ASP A 108 12.061 7.449 1.009 1.00 0.00 C ATOM 1703 CG ASP A 108 13.020 7.602 2.200 1.00 0.00 C ATOM 1704 OD1 ASP A 108 13.435 8.754 2.471 1.00 0.00 O ATOM 1705 OD2 ASP A 108 13.276 6.615 2.924 1.00 0.00 O ATOM 0 H ASP A 108 11.287 7.420 -1.650 1.00 0.00 H new ATOM 0 HA ASP A 108 12.920 9.161 0.136 1.00 0.00 H new ATOM 0 HB2 ASP A 108 11.080 7.844 1.274 1.00 0.00 H new ATOM 0 HB3 ASP A 108 11.927 6.392 0.778 1.00 0.00 H new ATOM 1710 N ASN A 109 14.184 8.000 -2.053 1.00 0.00 N ATOM 1711 CA ASN A 109 15.303 7.470 -2.832 1.00 0.00 C ATOM 1712 C ASN A 109 15.142 5.957 -3.069 1.00 0.00 C ATOM 1713 O ASN A 109 16.079 5.171 -2.924 1.00 0.00 O ATOM 1714 CB ASN A 109 16.620 7.895 -2.162 1.00 0.00 C ATOM 1715 CG ASN A 109 17.858 7.435 -2.917 1.00 0.00 C ATOM 1716 OD1 ASN A 109 17.933 7.485 -4.142 1.00 0.00 O ATOM 1717 ND2 ASN A 109 18.866 7.002 -2.180 1.00 0.00 N ATOM 0 H ASN A 109 13.721 8.793 -2.496 1.00 0.00 H new ATOM 0 HA ASN A 109 15.319 7.894 -3.836 1.00 0.00 H new ATOM 0 HB2 ASN A 109 16.640 8.981 -2.074 1.00 0.00 H new ATOM 0 HB3 ASN A 109 16.650 7.492 -1.150 1.00 0.00 H new ATOM 0 HD21 ASN A 109 19.732 6.700 -2.627 1.00 0.00 H new ATOM 0 HD22 ASN A 109 18.778 6.970 -1.164 1.00 0.00 H new ATOM 1724 N GLU A 110 13.908 5.571 -3.418 1.00 0.00 N ATOM 1725 CA GLU A 110 13.511 4.186 -3.693 1.00 0.00 C ATOM 1726 C GLU A 110 13.931 3.190 -2.602 1.00 0.00 C ATOM 1727 O GLU A 110 14.320 2.053 -2.890 1.00 0.00 O ATOM 1728 CB GLU A 110 13.913 3.764 -5.119 1.00 0.00 C ATOM 1729 CG GLU A 110 13.533 4.831 -6.155 1.00 0.00 C ATOM 1730 CD GLU A 110 13.387 4.256 -7.571 1.00 0.00 C ATOM 1731 OE1 GLU A 110 14.406 3.902 -8.207 1.00 0.00 O ATOM 1732 OE2 GLU A 110 12.238 4.188 -8.063 1.00 0.00 O ATOM 0 H GLU A 110 13.138 6.232 -3.519 1.00 0.00 H new ATOM 0 HA GLU A 110 12.422 4.157 -3.655 1.00 0.00 H new ATOM 0 HB2 GLU A 110 14.988 3.587 -5.157 1.00 0.00 H new ATOM 0 HB3 GLU A 110 13.425 2.822 -5.371 1.00 0.00 H new ATOM 0 HG2 GLU A 110 12.595 5.301 -5.859 1.00 0.00 H new ATOM 0 HG3 GLU A 110 14.293 5.613 -6.161 1.00 0.00 H new ATOM 1739 N CYS A 111 13.862 3.628 -1.346 1.00 0.00 N ATOM 1740 CA CYS A 111 14.093 2.756 -0.205 1.00 0.00 C ATOM 1741 C CYS A 111 12.909 1.800 -0.025 1.00 0.00 C ATOM 1742 O CYS A 111 11.748 2.205 -0.108 1.00 0.00 O ATOM 1743 CB CYS A 111 14.298 3.587 1.061 1.00 0.00 C ATOM 1744 SG CYS A 111 15.956 4.329 1.047 1.00 0.00 S ATOM 0 H CYS A 111 13.645 4.593 -1.096 1.00 0.00 H new ATOM 0 HA CYS A 111 14.993 2.169 -0.387 1.00 0.00 H new ATOM 0 HB2 CYS A 111 13.540 4.368 1.121 1.00 0.00 H new ATOM 0 HB3 CYS A 111 14.178 2.958 1.943 1.00 0.00 H new ATOM 0 HG CYS A 111 15.905 5.494 0.473 1.00 0.00 H new ATOM 1750 N GLU A 112 13.221 0.535 0.261 1.00 0.00 N ATOM 1751 CA GLU A 112 12.225 -0.469 0.622 1.00 0.00 C ATOM 1752 C GLU A 112 11.783 -0.262 2.079 1.00 0.00 C ATOM 1753 O GLU A 112 12.421 0.477 2.836 1.00 0.00 O ATOM 1754 CB GLU A 112 12.827 -1.873 0.450 1.00 0.00 C ATOM 1755 CG GLU A 112 13.225 -2.173 -1.000 1.00 0.00 C ATOM 1756 CD GLU A 112 13.797 -3.592 -1.129 1.00 0.00 C ATOM 1757 OE1 GLU A 112 15.029 -3.773 -0.992 1.00 0.00 O ATOM 1758 OE2 GLU A 112 13.006 -4.523 -1.385 1.00 0.00 O ATOM 0 H GLU A 112 14.177 0.179 0.248 1.00 0.00 H new ATOM 0 HA GLU A 112 11.356 -0.369 -0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 112 13.704 -1.969 1.090 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.105 -2.617 0.785 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.356 -2.067 -1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 112 13.965 -1.446 -1.336 1.00 0.00 H new ATOM 1765 N ILE A 113 10.709 -0.948 2.476 1.00 0.00 N ATOM 1766 CA ILE A 113 10.094 -0.785 3.793 1.00 0.00 C ATOM 1767 C ILE A 113 10.125 -2.160 4.484 1.00 0.00 C ATOM 1768 O ILE A 113 9.805 -3.160 3.834 1.00 0.00 O ATOM 1769 CB ILE A 113 8.659 -0.223 3.618 1.00 0.00 C ATOM 1770 CG1 ILE A 113 8.667 1.069 2.754 1.00 0.00 C ATOM 1771 CG2 ILE A 113 7.984 0.025 4.980 1.00 0.00 C ATOM 1772 CD1 ILE A 113 7.302 1.724 2.520 1.00 0.00 C ATOM 0 H ILE A 113 10.239 -1.637 1.888 1.00 0.00 H new ATOM 0 HA ILE A 113 10.631 -0.073 4.419 1.00 0.00 H new ATOM 0 HB ILE A 113 8.072 -0.975 3.091 1.00 0.00 H new ATOM 0 HG12 ILE A 113 9.322 1.798 3.231 1.00 0.00 H new ATOM 0 HG13 ILE A 113 9.106 0.832 1.785 1.00 0.00 H new ATOM 0 HG21 ILE A 113 6.980 0.419 4.822 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.923 -0.913 5.532 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.570 0.745 5.551 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.427 2.616 1.906 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.644 1.021 2.009 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.863 2.002 3.478 1.00 0.00 H new ATOM 1784 N PRO A 114 10.507 -2.253 5.774 1.00 0.00 N ATOM 1785 CA PRO A 114 10.515 -3.520 6.498 1.00 0.00 C ATOM 1786 C PRO A 114 9.087 -4.039 6.704 1.00 0.00 C ATOM 1787 O PRO A 114 8.108 -3.296 6.588 1.00 0.00 O ATOM 1788 CB PRO A 114 11.234 -3.238 7.821 1.00 0.00 C ATOM 1789 CG PRO A 114 10.990 -1.750 8.054 1.00 0.00 C ATOM 1790 CD PRO A 114 10.954 -1.171 6.640 1.00 0.00 C ATOM 0 HA PRO A 114 11.030 -4.306 5.945 1.00 0.00 H new ATOM 0 HB2 PRO A 114 10.830 -3.842 8.633 1.00 0.00 H new ATOM 0 HB3 PRO A 114 12.298 -3.464 7.755 1.00 0.00 H new ATOM 0 HG2 PRO A 114 10.054 -1.575 8.584 1.00 0.00 H new ATOM 0 HG3 PRO A 114 11.784 -1.301 8.652 1.00 0.00 H new ATOM 0 HD2 PRO A 114 10.275 -0.320 6.584 1.00 0.00 H new ATOM 0 HD3 PRO A 114 11.939 -0.813 6.340 1.00 0.00 H new ATOM 1798 N ASP A 115 8.952 -5.331 6.992 1.00 0.00 N ATOM 1799 CA ASP A 115 7.666 -5.982 7.241 1.00 0.00 C ATOM 1800 C ASP A 115 7.445 -6.043 8.755 1.00 0.00 C ATOM 1801 O ASP A 115 8.234 -6.698 9.441 1.00 0.00 O ATOM 1802 CB ASP A 115 7.667 -7.382 6.617 1.00 0.00 C ATOM 1803 CG ASP A 115 6.428 -8.226 6.975 1.00 0.00 C ATOM 1804 OD1 ASP A 115 5.437 -7.693 7.523 1.00 0.00 O ATOM 1805 OD2 ASP A 115 6.449 -9.442 6.679 1.00 0.00 O ATOM 0 H ASP A 115 9.746 -5.967 7.060 1.00 0.00 H new ATOM 0 HA ASP A 115 6.851 -5.419 6.785 1.00 0.00 H new ATOM 0 HB2 ASP A 115 7.728 -7.286 5.533 1.00 0.00 H new ATOM 0 HB3 ASP A 115 8.562 -7.913 6.941 1.00 0.00 H new ATOM 1810 N PRO A 116 6.425 -5.358 9.306 1.00 0.00 N ATOM 1811 CA PRO A 116 6.196 -5.328 10.742 1.00 0.00 C ATOM 1812 C PRO A 116 5.671 -6.659 11.301 1.00 0.00 C ATOM 1813 O PRO A 116 5.707 -6.806 12.516 1.00 0.00 O ATOM 1814 CB PRO A 116 5.205 -4.184 10.972 1.00 0.00 C ATOM 1815 CG PRO A 116 4.396 -4.163 9.679 1.00 0.00 C ATOM 1816 CD PRO A 116 5.441 -4.527 8.625 1.00 0.00 C ATOM 0 HA PRO A 116 7.133 -5.170 11.275 1.00 0.00 H new ATOM 0 HB2 PRO A 116 4.572 -4.367 11.841 1.00 0.00 H new ATOM 0 HB3 PRO A 116 5.716 -3.236 11.144 1.00 0.00 H new ATOM 0 HG2 PRO A 116 3.576 -4.881 9.702 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.956 -3.183 9.492 1.00 0.00 H new ATOM 0 HD2 PRO A 116 4.985 -5.064 7.793 1.00 0.00 H new ATOM 0 HD3 PRO A 116 5.906 -3.632 8.211 1.00 0.00 H new ATOM 1824 N TYR A 117 5.220 -7.610 10.467 1.00 0.00 N ATOM 1825 CA TYR A 117 4.653 -8.920 10.807 1.00 0.00 C ATOM 1826 C TYR A 117 4.075 -9.022 12.232 1.00 0.00 C ATOM 1827 O TYR A 117 2.926 -8.627 12.435 1.00 0.00 O ATOM 1828 CB TYR A 117 5.667 -10.029 10.472 1.00 0.00 C ATOM 1829 CG TYR A 117 5.136 -11.439 10.674 1.00 0.00 C ATOM 1830 CD1 TYR A 117 3.944 -11.843 10.040 1.00 0.00 C ATOM 1831 CD2 TYR A 117 5.825 -12.343 11.507 1.00 0.00 C ATOM 1832 CE1 TYR A 117 3.431 -13.136 10.248 1.00 0.00 C ATOM 1833 CE2 TYR A 117 5.319 -13.638 11.717 1.00 0.00 C ATOM 1834 CZ TYR A 117 4.118 -14.041 11.092 1.00 0.00 C ATOM 1835 OH TYR A 117 3.635 -15.297 11.307 1.00 0.00 O ATOM 0 H TYR A 117 5.246 -7.469 9.457 1.00 0.00 H new ATOM 0 HA TYR A 117 3.771 -9.060 10.181 1.00 0.00 H new ATOM 0 HB2 TYR A 117 5.982 -9.916 9.435 1.00 0.00 H new ATOM 0 HB3 TYR A 117 6.554 -9.894 11.091 1.00 0.00 H new ATOM 0 HD1 TYR A 117 3.422 -11.156 9.391 1.00 0.00 H new ATOM 0 HD2 TYR A 117 6.745 -12.040 11.986 1.00 0.00 H new ATOM 0 HE1 TYR A 117 2.514 -13.438 9.764 1.00 0.00 H new ATOM 0 HE2 TYR A 117 5.850 -14.326 12.358 1.00 0.00 H new ATOM 0 HH TYR A 117 4.236 -15.780 11.912 1.00 0.00 H new ATOM 1845 N ARG A 118 4.842 -9.521 13.216 1.00 0.00 N ATOM 1846 CA ARG A 118 4.434 -9.577 14.631 1.00 0.00 C ATOM 1847 C ARG A 118 5.494 -8.916 15.528 1.00 0.00 C ATOM 1848 O ARG A 118 5.633 -9.263 16.703 1.00 0.00 O ATOM 1849 CB ARG A 118 4.154 -11.033 15.064 1.00 0.00 C ATOM 1850 CG ARG A 118 3.067 -11.807 14.297 1.00 0.00 C ATOM 1851 CD ARG A 118 1.687 -11.140 14.180 1.00 0.00 C ATOM 1852 NE ARG A 118 1.245 -10.452 15.412 1.00 0.00 N ATOM 1853 CZ ARG A 118 0.852 -9.170 15.498 1.00 0.00 C ATOM 1854 NH1 ARG A 118 1.022 -8.330 14.483 1.00 0.00 N ATOM 1855 NH2 ARG A 118 0.303 -8.707 16.615 1.00 0.00 N ATOM 0 H ARG A 118 5.774 -9.901 13.050 1.00 0.00 H new ATOM 0 HA ARG A 118 3.507 -9.016 14.745 1.00 0.00 H new ATOM 0 HB2 ARG A 118 5.086 -11.593 14.983 1.00 0.00 H new ATOM 0 HB3 ARG A 118 3.879 -11.023 16.119 1.00 0.00 H new ATOM 0 HG2 ARG A 118 3.436 -12.001 13.290 1.00 0.00 H new ATOM 0 HG3 ARG A 118 2.936 -12.775 14.780 1.00 0.00 H new ATOM 0 HD2 ARG A 118 1.711 -10.419 13.363 1.00 0.00 H new ATOM 0 HD3 ARG A 118 0.950 -11.898 13.915 1.00 0.00 H new ATOM 0 HE ARG A 118 1.238 -10.999 16.273 1.00 0.00 H new ATOM 0 HH11 ARG A 118 1.457 -8.655 13.620 1.00 0.00 H new ATOM 0 HH12 ARG A 118 0.717 -7.360 14.567 1.00 0.00 H new ATOM 0 HH21 ARG A 118 0.177 -9.326 17.416 1.00 0.00 H new ATOM 0 HH22 ARG A 118 0.007 -7.732 16.672 1.00 0.00 H new ATOM 1869 N LYS A 119 6.281 -8.001 14.959 1.00 0.00 N ATOM 1870 CA LYS A 119 7.280 -7.227 15.690 1.00 0.00 C ATOM 1871 C LYS A 119 6.575 -6.254 16.647 1.00 0.00 C ATOM 1872 O LYS A 119 5.343 -6.163 16.668 1.00 0.00 O ATOM 1873 CB LYS A 119 8.199 -6.498 14.687 1.00 0.00 C ATOM 1874 CG LYS A 119 8.904 -7.472 13.721 1.00 0.00 C ATOM 1875 CD LYS A 119 9.801 -6.734 12.717 1.00 0.00 C ATOM 1876 CE LYS A 119 10.401 -7.670 11.656 1.00 0.00 C ATOM 1877 NZ LYS A 119 11.385 -8.635 12.213 1.00 0.00 N ATOM 0 H LYS A 119 6.240 -7.776 13.965 1.00 0.00 H new ATOM 0 HA LYS A 119 7.906 -7.885 16.293 1.00 0.00 H new ATOM 0 HB2 LYS A 119 7.610 -5.783 14.112 1.00 0.00 H new ATOM 0 HB3 LYS A 119 8.949 -5.927 15.234 1.00 0.00 H new ATOM 0 HG2 LYS A 119 9.505 -8.179 14.293 1.00 0.00 H new ATOM 0 HG3 LYS A 119 8.156 -8.053 13.181 1.00 0.00 H new ATOM 0 HD2 LYS A 119 9.221 -5.955 12.222 1.00 0.00 H new ATOM 0 HD3 LYS A 119 10.608 -6.237 13.255 1.00 0.00 H new ATOM 0 HE2 LYS A 119 9.596 -8.222 11.171 1.00 0.00 H new ATOM 0 HE3 LYS A 119 10.886 -7.071 10.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 11.752 -9.237 11.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 12.171 -8.115 12.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 10.921 -9.230 12.929 1.00 0.00 H new ATOM 1891 N SER A 120 7.362 -5.541 17.451 1.00 0.00 N ATOM 1892 CA SER A 120 6.852 -4.685 18.512 1.00 0.00 C ATOM 1893 C SER A 120 5.955 -3.562 17.971 1.00 0.00 C ATOM 1894 O SER A 120 6.060 -3.157 16.810 1.00 0.00 O ATOM 1895 CB SER A 120 8.055 -4.103 19.271 1.00 0.00 C ATOM 1896 OG SER A 120 8.973 -5.131 19.622 1.00 0.00 O ATOM 0 H SER A 120 8.380 -5.544 17.381 1.00 0.00 H new ATOM 0 HA SER A 120 6.228 -5.278 19.180 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.555 -3.357 18.653 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.711 -3.593 20.171 1.00 0.00 H new ATOM 0 HG SER A 120 9.733 -4.741 20.103 1.00 0.00 H new ATOM 1902 N ARG A 121 5.104 -2.998 18.838 1.00 0.00 N ATOM 1903 CA ARG A 121 4.247 -1.865 18.474 1.00 0.00 C ATOM 1904 C ARG A 121 5.083 -0.666 18.018 1.00 0.00 C ATOM 1905 O ARG A 121 4.668 0.055 17.116 1.00 0.00 O ATOM 1906 CB ARG A 121 3.339 -1.512 19.666 1.00 0.00 C ATOM 1907 CG ARG A 121 2.155 -0.612 19.272 1.00 0.00 C ATOM 1908 CD ARG A 121 1.320 -0.189 20.491 1.00 0.00 C ATOM 1909 NE ARG A 121 0.817 -1.336 21.275 1.00 0.00 N ATOM 1910 CZ ARG A 121 -0.286 -2.058 21.031 1.00 0.00 C ATOM 1911 NH1 ARG A 121 -1.059 -1.784 19.984 1.00 0.00 N ATOM 1912 NH2 ARG A 121 -0.609 -3.059 21.843 1.00 0.00 N ATOM 0 H ARG A 121 4.991 -3.311 19.802 1.00 0.00 H new ATOM 0 HA ARG A 121 3.617 -2.144 17.629 1.00 0.00 H new ATOM 0 HB2 ARG A 121 2.958 -2.431 20.110 1.00 0.00 H new ATOM 0 HB3 ARG A 121 3.931 -1.010 20.431 1.00 0.00 H new ATOM 0 HG2 ARG A 121 2.529 0.277 18.763 1.00 0.00 H new ATOM 0 HG3 ARG A 121 1.518 -1.141 18.563 1.00 0.00 H new ATOM 0 HD2 ARG A 121 1.926 0.447 21.136 1.00 0.00 H new ATOM 0 HD3 ARG A 121 0.475 0.412 20.154 1.00 0.00 H new ATOM 0 HE ARG A 121 1.368 -1.608 22.089 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -0.815 -1.018 19.357 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -1.896 -2.340 19.808 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -0.019 -3.274 22.647 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -1.447 -3.612 21.663 1.00 0.00 H new ATOM 1926 N GLU A 122 6.280 -0.486 18.583 1.00 0.00 N ATOM 1927 CA GLU A 122 7.209 0.553 18.145 1.00 0.00 C ATOM 1928 C GLU A 122 7.624 0.335 16.681 1.00 0.00 C ATOM 1929 O GLU A 122 7.762 1.301 15.933 1.00 0.00 O ATOM 1930 CB GLU A 122 8.427 0.549 19.084 1.00 0.00 C ATOM 1931 CG GLU A 122 9.417 1.703 18.845 1.00 0.00 C ATOM 1932 CD GLU A 122 8.802 3.101 19.056 1.00 0.00 C ATOM 1933 OE1 GLU A 122 8.161 3.346 20.103 1.00 0.00 O ATOM 1934 OE2 GLU A 122 8.991 3.987 18.194 1.00 0.00 O ATOM 0 H GLU A 122 6.629 -1.055 19.354 1.00 0.00 H new ATOM 0 HA GLU A 122 6.724 1.528 18.193 1.00 0.00 H new ATOM 0 HB2 GLU A 122 8.076 0.595 20.115 1.00 0.00 H new ATOM 0 HB3 GLU A 122 8.956 -0.397 18.969 1.00 0.00 H new ATOM 0 HG2 GLU A 122 10.268 1.585 19.516 1.00 0.00 H new ATOM 0 HG3 GLU A 122 9.802 1.635 17.827 1.00 0.00 H new ATOM 1941 N THR A 123 7.771 -0.917 16.242 1.00 0.00 N ATOM 1942 CA THR A 123 8.089 -1.224 14.855 1.00 0.00 C ATOM 1943 C THR A 123 6.889 -0.888 13.963 1.00 0.00 C ATOM 1944 O THR A 123 7.068 -0.273 12.911 1.00 0.00 O ATOM 1945 CB THR A 123 8.493 -2.705 14.727 1.00 0.00 C ATOM 1946 OG1 THR A 123 9.281 -3.127 15.831 1.00 0.00 O ATOM 1947 CG2 THR A 123 9.276 -2.957 13.437 1.00 0.00 C ATOM 0 H THR A 123 7.673 -1.739 16.838 1.00 0.00 H new ATOM 0 HA THR A 123 8.933 -0.617 14.527 1.00 0.00 H new ATOM 0 HB THR A 123 7.567 -3.280 14.707 1.00 0.00 H new ATOM 0 HG1 THR A 123 9.778 -3.936 15.588 1.00 0.00 H new ATOM 0 HG21 THR A 123 9.547 -4.011 13.376 1.00 0.00 H new ATOM 0 HG22 THR A 123 8.659 -2.690 12.579 1.00 0.00 H new ATOM 0 HG23 THR A 123 10.181 -2.349 13.436 1.00 0.00 H new ATOM 1955 N PHE A 124 5.660 -1.205 14.395 1.00 0.00 N ATOM 1956 CA PHE A 124 4.460 -0.783 13.679 1.00 0.00 C ATOM 1957 C PHE A 124 4.383 0.746 13.593 1.00 0.00 C ATOM 1958 O PHE A 124 4.009 1.261 12.542 1.00 0.00 O ATOM 1959 CB PHE A 124 3.188 -1.366 14.315 1.00 0.00 C ATOM 1960 CG PHE A 124 2.840 -2.767 13.851 1.00 0.00 C ATOM 1961 CD1 PHE A 124 3.393 -3.899 14.483 1.00 0.00 C ATOM 1962 CD2 PHE A 124 1.947 -2.938 12.775 1.00 0.00 C ATOM 1963 CE1 PHE A 124 3.050 -5.191 14.044 1.00 0.00 C ATOM 1964 CE2 PHE A 124 1.604 -4.229 12.340 1.00 0.00 C ATOM 1965 CZ PHE A 124 2.155 -5.355 12.973 1.00 0.00 C ATOM 0 H PHE A 124 5.477 -1.752 15.236 1.00 0.00 H new ATOM 0 HA PHE A 124 4.527 -1.176 12.665 1.00 0.00 H new ATOM 0 HB2 PHE A 124 3.310 -1.375 15.398 1.00 0.00 H new ATOM 0 HB3 PHE A 124 2.350 -0.705 14.094 1.00 0.00 H new ATOM 0 HD1 PHE A 124 4.081 -3.774 15.306 1.00 0.00 H new ATOM 0 HD2 PHE A 124 1.525 -2.074 12.283 1.00 0.00 H new ATOM 0 HE1 PHE A 124 3.475 -6.057 14.530 1.00 0.00 H new ATOM 0 HE2 PHE A 124 0.916 -4.356 11.518 1.00 0.00 H new ATOM 0 HZ PHE A 124 1.891 -6.347 12.637 1.00 0.00 H new ATOM 1975 N ALA A 125 4.764 1.484 14.642 1.00 0.00 N ATOM 1976 CA ALA A 125 4.791 2.945 14.618 1.00 0.00 C ATOM 1977 C ALA A 125 5.844 3.473 13.637 1.00 0.00 C ATOM 1978 O ALA A 125 5.573 4.425 12.901 1.00 0.00 O ATOM 1979 CB ALA A 125 5.029 3.489 16.031 1.00 0.00 C ATOM 0 H ALA A 125 5.062 1.082 15.531 1.00 0.00 H new ATOM 0 HA ALA A 125 3.822 3.298 14.267 1.00 0.00 H new ATOM 0 HB1 ALA A 125 5.048 4.578 16.003 1.00 0.00 H new ATOM 0 HB2 ALA A 125 4.226 3.156 16.689 1.00 0.00 H new ATOM 0 HB3 ALA A 125 5.983 3.119 16.407 1.00 0.00 H new ATOM 1985 N ALA A 126 7.029 2.858 13.583 1.00 0.00 N ATOM 1986 CA ALA A 126 8.070 3.238 12.635 1.00 0.00 C ATOM 1987 C ALA A 126 7.588 3.018 11.197 1.00 0.00 C ATOM 1988 O ALA A 126 7.708 3.915 10.361 1.00 0.00 O ATOM 1989 CB ALA A 126 9.351 2.445 12.917 1.00 0.00 C ATOM 0 H ALA A 126 7.289 2.085 14.195 1.00 0.00 H new ATOM 0 HA ALA A 126 8.292 4.298 12.755 1.00 0.00 H new ATOM 0 HB1 ALA A 126 10.123 2.735 12.204 1.00 0.00 H new ATOM 0 HB2 ALA A 126 9.694 2.656 13.930 1.00 0.00 H new ATOM 0 HB3 ALA A 126 9.148 1.379 12.818 1.00 0.00 H new ATOM 1995 N VAL A 127 6.998 1.853 10.918 1.00 0.00 N ATOM 1996 CA VAL A 127 6.448 1.542 9.604 1.00 0.00 C ATOM 1997 C VAL A 127 5.307 2.515 9.285 1.00 0.00 C ATOM 1998 O VAL A 127 5.305 3.079 8.193 1.00 0.00 O ATOM 1999 CB VAL A 127 6.049 0.050 9.556 1.00 0.00 C ATOM 2000 CG1 VAL A 127 5.273 -0.328 8.288 1.00 0.00 C ATOM 2001 CG2 VAL A 127 7.310 -0.832 9.593 1.00 0.00 C ATOM 0 H VAL A 127 6.890 1.101 11.599 1.00 0.00 H new ATOM 0 HA VAL A 127 7.190 1.682 8.818 1.00 0.00 H new ATOM 0 HB VAL A 127 5.408 -0.114 10.422 1.00 0.00 H new ATOM 0 HG11 VAL A 127 5.023 -1.389 8.317 1.00 0.00 H new ATOM 0 HG12 VAL A 127 4.356 0.259 8.234 1.00 0.00 H new ATOM 0 HG13 VAL A 127 5.887 -0.124 7.411 1.00 0.00 H new ATOM 0 HG21 VAL A 127 7.021 -1.882 9.559 1.00 0.00 H new ATOM 0 HG22 VAL A 127 7.941 -0.601 8.734 1.00 0.00 H new ATOM 0 HG23 VAL A 127 7.863 -0.638 10.512 1.00 0.00 H new ATOM 2011 N TYR A 128 4.396 2.796 10.226 1.00 0.00 N ATOM 2012 CA TYR A 128 3.343 3.789 10.032 1.00 0.00 C ATOM 2013 C TYR A 128 3.948 5.141 9.644 1.00 0.00 C ATOM 2014 O TYR A 128 3.446 5.774 8.724 1.00 0.00 O ATOM 2015 CB TYR A 128 2.459 3.908 11.290 1.00 0.00 C ATOM 2016 CG TYR A 128 1.491 5.081 11.251 1.00 0.00 C ATOM 2017 CD1 TYR A 128 1.945 6.365 11.613 1.00 0.00 C ATOM 2018 CD2 TYR A 128 0.168 4.915 10.789 1.00 0.00 C ATOM 2019 CE1 TYR A 128 1.124 7.487 11.426 1.00 0.00 C ATOM 2020 CE2 TYR A 128 -0.677 6.033 10.641 1.00 0.00 C ATOM 2021 CZ TYR A 128 -0.187 7.329 10.925 1.00 0.00 C ATOM 2022 OH TYR A 128 -0.949 8.429 10.673 1.00 0.00 O ATOM 0 H TYR A 128 4.372 2.341 11.138 1.00 0.00 H new ATOM 0 HA TYR A 128 2.704 3.459 9.213 1.00 0.00 H new ATOM 0 HB2 TYR A 128 1.892 2.985 11.413 1.00 0.00 H new ATOM 0 HB3 TYR A 128 3.101 4.007 12.166 1.00 0.00 H new ATOM 0 HD1 TYR A 128 2.931 6.486 12.037 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -0.198 3.928 10.548 1.00 0.00 H new ATOM 0 HE1 TYR A 128 1.495 8.473 11.665 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -1.697 5.900 10.311 1.00 0.00 H new ATOM 0 HH TYR A 128 -0.470 9.025 10.060 1.00 0.00 H new ATOM 2032 N THR A 129 5.029 5.576 10.294 1.00 0.00 N ATOM 2033 CA THR A 129 5.668 6.853 9.986 1.00 0.00 C ATOM 2034 C THR A 129 6.240 6.839 8.560 1.00 0.00 C ATOM 2035 O THR A 129 6.057 7.809 7.821 1.00 0.00 O ATOM 2036 CB THR A 129 6.735 7.152 11.058 1.00 0.00 C ATOM 2037 OG1 THR A 129 6.169 7.070 12.358 1.00 0.00 O ATOM 2038 CG2 THR A 129 7.329 8.557 10.909 1.00 0.00 C ATOM 0 H THR A 129 5.483 5.055 11.044 1.00 0.00 H new ATOM 0 HA THR A 129 4.935 7.659 10.012 1.00 0.00 H new ATOM 0 HB THR A 129 7.521 6.409 10.921 1.00 0.00 H new ATOM 0 HG1 THR A 129 6.070 6.129 12.613 1.00 0.00 H new ATOM 0 HG21 THR A 129 8.075 8.721 11.686 1.00 0.00 H new ATOM 0 HG22 THR A 129 7.798 8.652 9.930 1.00 0.00 H new ATOM 0 HG23 THR A 129 6.536 9.299 11.005 1.00 0.00 H new ATOM 2046 N LEU A 130 6.879 5.741 8.140 1.00 0.00 N ATOM 2047 CA LEU A 130 7.411 5.593 6.786 1.00 0.00 C ATOM 2048 C LEU A 130 6.267 5.686 5.769 1.00 0.00 C ATOM 2049 O LEU A 130 6.352 6.428 4.785 1.00 0.00 O ATOM 2050 CB LEU A 130 8.156 4.243 6.672 1.00 0.00 C ATOM 2051 CG LEU A 130 9.313 4.187 5.653 1.00 0.00 C ATOM 2052 CD1 LEU A 130 8.951 4.680 4.249 1.00 0.00 C ATOM 2053 CD2 LEU A 130 10.534 4.967 6.159 1.00 0.00 C ATOM 0 H LEU A 130 7.041 4.928 8.735 1.00 0.00 H new ATOM 0 HA LEU A 130 8.118 6.394 6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 130 8.552 3.986 7.654 1.00 0.00 H new ATOM 0 HB3 LEU A 130 7.431 3.473 6.410 1.00 0.00 H new ATOM 0 HG LEU A 130 9.547 3.126 5.563 1.00 0.00 H new ATOM 0 HD11 LEU A 130 9.824 4.605 3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 130 8.145 4.068 3.845 1.00 0.00 H new ATOM 0 HD13 LEU A 130 8.626 5.719 4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 130 11.334 4.910 5.421 1.00 0.00 H new ATOM 0 HD22 LEU A 130 10.260 6.010 6.317 1.00 0.00 H new ATOM 0 HD23 LEU A 130 10.877 4.536 7.099 1.00 0.00 H new ATOM 2065 N LEU A 131 5.176 4.958 6.022 1.00 0.00 N ATOM 2066 CA LEU A 131 4.003 4.942 5.160 1.00 0.00 C ATOM 2067 C LEU A 131 3.335 6.311 5.131 1.00 0.00 C ATOM 2068 O LEU A 131 2.898 6.730 4.066 1.00 0.00 O ATOM 2069 CB LEU A 131 2.993 3.882 5.631 1.00 0.00 C ATOM 2070 CG LEU A 131 3.173 2.508 4.970 1.00 0.00 C ATOM 2071 CD1 LEU A 131 4.529 1.855 5.239 1.00 0.00 C ATOM 2072 CD2 LEU A 131 2.075 1.573 5.479 1.00 0.00 C ATOM 0 H LEU A 131 5.087 4.358 6.842 1.00 0.00 H new ATOM 0 HA LEU A 131 4.334 4.690 4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 131 3.080 3.768 6.712 1.00 0.00 H new ATOM 0 HB3 LEU A 131 1.984 4.241 5.428 1.00 0.00 H new ATOM 0 HG LEU A 131 3.114 2.672 3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 131 4.574 0.889 4.737 1.00 0.00 H new ATOM 0 HD12 LEU A 131 5.324 2.498 4.861 1.00 0.00 H new ATOM 0 HD13 LEU A 131 4.658 1.712 6.312 1.00 0.00 H new ATOM 0 HD21 LEU A 131 2.190 0.592 5.018 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.153 1.476 6.562 1.00 0.00 H new ATOM 0 HD23 LEU A 131 1.099 1.983 5.221 1.00 0.00 H new ATOM 2084 N GLU A 132 3.252 7.010 6.263 1.00 0.00 N ATOM 2085 CA GLU A 132 2.640 8.331 6.347 1.00 0.00 C ATOM 2086 C GLU A 132 3.414 9.320 5.481 1.00 0.00 C ATOM 2087 O GLU A 132 2.803 10.078 4.723 1.00 0.00 O ATOM 2088 CB GLU A 132 2.572 8.761 7.825 1.00 0.00 C ATOM 2089 CG GLU A 132 1.961 10.154 8.011 1.00 0.00 C ATOM 2090 CD GLU A 132 1.738 10.492 9.493 1.00 0.00 C ATOM 2091 OE1 GLU A 132 2.710 10.843 10.199 1.00 0.00 O ATOM 2092 OE2 GLU A 132 0.565 10.444 9.936 1.00 0.00 O ATOM 0 H GLU A 132 3.612 6.670 7.155 1.00 0.00 H new ATOM 0 HA GLU A 132 1.621 8.306 5.961 1.00 0.00 H new ATOM 0 HB2 GLU A 132 1.983 8.033 8.384 1.00 0.00 H new ATOM 0 HB3 GLU A 132 3.576 8.750 8.248 1.00 0.00 H new ATOM 0 HG2 GLU A 132 2.618 10.900 7.564 1.00 0.00 H new ATOM 0 HG3 GLU A 132 1.010 10.207 7.480 1.00 0.00 H new ATOM 2099 N ARG A 133 4.750 9.271 5.535 1.00 0.00 N ATOM 2100 CA ARG A 133 5.595 10.097 4.685 1.00 0.00 C ATOM 2101 C ARG A 133 5.334 9.783 3.221 1.00 0.00 C ATOM 2102 O ARG A 133 5.030 10.673 2.431 1.00 0.00 O ATOM 2103 CB ARG A 133 7.082 9.845 5.013 1.00 0.00 C ATOM 2104 CG ARG A 133 7.748 11.156 5.417 1.00 0.00 C ATOM 2105 CD ARG A 133 9.277 11.082 5.336 1.00 0.00 C ATOM 2106 NE ARG A 133 9.725 10.980 3.933 1.00 0.00 N ATOM 2107 CZ ARG A 133 10.895 10.499 3.506 1.00 0.00 C ATOM 2108 NH1 ARG A 133 11.840 10.082 4.340 1.00 0.00 N ATOM 2109 NH2 ARG A 133 11.121 10.419 2.205 1.00 0.00 N ATOM 0 H ARG A 133 5.267 8.660 6.167 1.00 0.00 H new ATOM 0 HA ARG A 133 5.359 11.145 4.871 1.00 0.00 H new ATOM 0 HB2 ARG A 133 7.168 9.118 5.821 1.00 0.00 H new ATOM 0 HB3 ARG A 133 7.589 9.420 4.146 1.00 0.00 H new ATOM 0 HG2 ARG A 133 7.391 11.957 4.770 1.00 0.00 H new ATOM 0 HG3 ARG A 133 7.452 11.413 6.434 1.00 0.00 H new ATOM 0 HD2 ARG A 133 9.713 11.968 5.798 1.00 0.00 H new ATOM 0 HD3 ARG A 133 9.634 10.220 5.900 1.00 0.00 H new ATOM 0 HE ARG A 133 9.076 11.310 3.219 1.00 0.00 H new ATOM 0 HH11 ARG A 133 11.685 10.123 5.347 1.00 0.00 H new ATOM 0 HH12 ARG A 133 12.721 9.721 3.973 1.00 0.00 H new ATOM 0 HH21 ARG A 133 10.406 10.723 1.544 1.00 0.00 H new ATOM 0 HH22 ARG A 133 12.010 10.054 1.863 1.00 0.00 H new ATOM 2123 N SER A 134 5.443 8.504 2.883 1.00 0.00 N ATOM 2124 CA SER A 134 5.322 8.013 1.520 1.00 0.00 C ATOM 2125 C SER A 134 3.964 8.413 0.946 1.00 0.00 C ATOM 2126 O SER A 134 3.902 8.977 -0.144 1.00 0.00 O ATOM 2127 CB SER A 134 5.516 6.492 1.499 1.00 0.00 C ATOM 2128 OG SER A 134 6.761 6.132 2.072 1.00 0.00 O ATOM 0 H SER A 134 5.622 7.766 3.564 1.00 0.00 H new ATOM 0 HA SER A 134 6.096 8.460 0.896 1.00 0.00 H new ATOM 0 HB2 SER A 134 4.706 6.011 2.047 1.00 0.00 H new ATOM 0 HB3 SER A 134 5.465 6.129 0.472 1.00 0.00 H new ATOM 0 HG SER A 134 6.717 6.241 3.045 1.00 0.00 H new ATOM 2134 N ALA A 135 2.889 8.199 1.705 1.00 0.00 N ATOM 2135 CA ALA A 135 1.537 8.537 1.286 1.00 0.00 C ATOM 2136 C ALA A 135 1.382 10.042 1.069 1.00 0.00 C ATOM 2137 O ALA A 135 0.715 10.444 0.117 1.00 0.00 O ATOM 2138 CB ALA A 135 0.529 8.042 2.331 1.00 0.00 C ATOM 0 H ALA A 135 2.937 7.783 2.635 1.00 0.00 H new ATOM 0 HA ALA A 135 1.341 8.043 0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.481 8.298 2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 135 0.614 6.960 2.434 1.00 0.00 H new ATOM 0 HB3 ALA A 135 0.737 8.516 3.290 1.00 0.00 H new ATOM 2144 N ARG A 136 1.998 10.881 1.910 1.00 0.00 N ATOM 2145 CA ARG A 136 1.944 12.328 1.732 1.00 0.00 C ATOM 2146 C ARG A 136 2.693 12.730 0.465 1.00 0.00 C ATOM 2147 O ARG A 136 2.199 13.563 -0.289 1.00 0.00 O ATOM 2148 CB ARG A 136 2.514 13.025 2.978 1.00 0.00 C ATOM 2149 CG ARG A 136 2.194 14.530 2.994 1.00 0.00 C ATOM 2150 CD ARG A 136 2.680 15.211 4.280 1.00 0.00 C ATOM 2151 NE ARG A 136 2.002 14.673 5.473 1.00 0.00 N ATOM 2152 CZ ARG A 136 2.208 15.042 6.742 1.00 0.00 C ATOM 2153 NH1 ARG A 136 3.068 16.013 7.044 1.00 0.00 N ATOM 2154 NH2 ARG A 136 1.537 14.417 7.703 1.00 0.00 N ATOM 0 H ARG A 136 2.539 10.578 2.720 1.00 0.00 H new ATOM 0 HA ARG A 136 0.908 12.645 1.614 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.105 12.558 3.874 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.594 12.884 3.010 1.00 0.00 H new ATOM 0 HG2 ARG A 136 2.660 15.008 2.133 1.00 0.00 H new ATOM 0 HG3 ARG A 136 1.118 14.672 2.894 1.00 0.00 H new ATOM 0 HD2 ARG A 136 3.757 15.073 4.380 1.00 0.00 H new ATOM 0 HD3 ARG A 136 2.501 16.284 4.213 1.00 0.00 H new ATOM 0 HE ARG A 136 1.305 13.945 5.315 1.00 0.00 H new ATOM 0 HH11 ARG A 136 3.582 16.488 6.302 1.00 0.00 H new ATOM 0 HH12 ARG A 136 3.213 16.282 8.017 1.00 0.00 H new ATOM 0 HH21 ARG A 136 0.881 13.673 7.466 1.00 0.00 H new ATOM 0 HH22 ARG A 136 1.678 14.681 8.678 1.00 0.00 H new ATOM 2168 N GLN A 137 3.862 12.140 0.205 1.00 0.00 N ATOM 2169 CA GLN A 137 4.639 12.442 -0.989 1.00 0.00 C ATOM 2170 C GLN A 137 3.900 11.960 -2.250 1.00 0.00 C ATOM 2171 O GLN A 137 3.851 12.700 -3.235 1.00 0.00 O ATOM 2172 CB GLN A 137 6.063 11.872 -0.859 1.00 0.00 C ATOM 2173 CG GLN A 137 6.867 12.592 0.243 1.00 0.00 C ATOM 2174 CD GLN A 137 8.300 12.075 0.386 1.00 0.00 C ATOM 2175 OE1 GLN A 137 8.581 11.160 1.158 1.00 0.00 O ATOM 2176 NE2 GLN A 137 9.250 12.650 -0.333 1.00 0.00 N ATOM 0 H GLN A 137 4.291 11.444 0.815 1.00 0.00 H new ATOM 0 HA GLN A 137 4.746 13.522 -1.092 1.00 0.00 H new ATOM 0 HB2 GLN A 137 6.010 10.807 -0.634 1.00 0.00 H new ATOM 0 HB3 GLN A 137 6.583 11.970 -1.812 1.00 0.00 H new ATOM 0 HG2 GLN A 137 6.894 13.659 0.024 1.00 0.00 H new ATOM 0 HG3 GLN A 137 6.350 12.475 1.195 1.00 0.00 H new ATOM 0 HE21 GLN A 137 9.016 13.409 -0.973 1.00 0.00 H new ATOM 0 HE22 GLN A 137 10.216 12.334 -0.247 1.00 0.00 H new ATOM 2185 N TRP A 138 3.246 10.790 -2.216 1.00 0.00 N ATOM 2186 CA TRP A 138 2.365 10.363 -3.302 1.00 0.00 C ATOM 2187 C TRP A 138 1.224 11.360 -3.488 1.00 0.00 C ATOM 2188 O TRP A 138 1.006 11.790 -4.616 1.00 0.00 O ATOM 2189 CB TRP A 138 1.836 8.933 -3.097 1.00 0.00 C ATOM 2190 CG TRP A 138 2.777 7.870 -3.576 1.00 0.00 C ATOM 2191 CD1 TRP A 138 3.618 7.153 -2.802 1.00 0.00 C ATOM 2192 CD2 TRP A 138 3.050 7.441 -4.949 1.00 0.00 C ATOM 2193 NE1 TRP A 138 4.436 6.378 -3.591 1.00 0.00 N ATOM 2194 CE2 TRP A 138 4.131 6.508 -4.929 1.00 0.00 C ATOM 2195 CE3 TRP A 138 2.527 7.788 -6.213 1.00 0.00 C ATOM 2196 CZ2 TRP A 138 4.685 5.971 -6.100 1.00 0.00 C ATOM 2197 CZ3 TRP A 138 3.067 7.245 -7.397 1.00 0.00 C ATOM 2198 CH2 TRP A 138 4.148 6.347 -7.341 1.00 0.00 C ATOM 0 H TRP A 138 3.314 10.125 -1.446 1.00 0.00 H new ATOM 0 HA TRP A 138 2.958 10.344 -4.217 1.00 0.00 H new ATOM 0 HB2 TRP A 138 1.635 8.778 -2.037 1.00 0.00 H new ATOM 0 HB3 TRP A 138 0.886 8.828 -3.620 1.00 0.00 H new ATOM 0 HD1 TRP A 138 3.645 7.183 -1.723 1.00 0.00 H new ATOM 0 HE1 TRP A 138 5.179 5.779 -3.230 1.00 0.00 H new ATOM 0 HE3 TRP A 138 1.700 8.480 -6.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 5.512 5.279 -6.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 2.648 7.521 -8.353 1.00 0.00 H new ATOM 0 HH2 TRP A 138 4.565 5.947 -8.253 1.00 0.00 H new ATOM 2209 N ALA A 139 0.534 11.776 -2.422 1.00 0.00 N ATOM 2210 CA ALA A 139 -0.533 12.763 -2.518 1.00 0.00 C ATOM 2211 C ALA A 139 -0.033 14.083 -3.121 1.00 0.00 C ATOM 2212 O ALA A 139 -0.710 14.671 -3.958 1.00 0.00 O ATOM 2213 CB ALA A 139 -1.163 12.988 -1.139 1.00 0.00 C ATOM 0 H ALA A 139 0.702 11.437 -1.475 1.00 0.00 H new ATOM 0 HA ALA A 139 -1.296 12.375 -3.193 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.960 13.727 -1.219 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -1.575 12.049 -0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -0.403 13.348 -0.446 1.00 0.00 H new ATOM 2219 N GLN A 140 1.166 14.543 -2.754 1.00 0.00 N ATOM 2220 CA GLN A 140 1.739 15.774 -3.287 1.00 0.00 C ATOM 2221 C GLN A 140 1.923 15.684 -4.810 1.00 0.00 C ATOM 2222 O GLN A 140 1.733 16.693 -5.493 1.00 0.00 O ATOM 2223 CB GLN A 140 3.051 16.082 -2.544 1.00 0.00 C ATOM 2224 CG GLN A 140 3.805 17.334 -3.022 1.00 0.00 C ATOM 2225 CD GLN A 140 3.005 18.626 -2.846 1.00 0.00 C ATOM 2226 OE1 GLN A 140 3.105 19.309 -1.829 1.00 0.00 O ATOM 2227 NE2 GLN A 140 2.194 18.995 -3.826 1.00 0.00 N ATOM 0 H GLN A 140 1.765 14.069 -2.078 1.00 0.00 H new ATOM 0 HA GLN A 140 1.054 16.605 -3.118 1.00 0.00 H new ATOM 0 HB2 GLN A 140 2.829 16.196 -1.483 1.00 0.00 H new ATOM 0 HB3 GLN A 140 3.713 15.222 -2.640 1.00 0.00 H new ATOM 0 HG2 GLN A 140 4.742 17.417 -2.472 1.00 0.00 H new ATOM 0 HG3 GLN A 140 4.063 17.215 -4.074 1.00 0.00 H new ATOM 0 HE21 GLN A 140 2.117 18.423 -4.667 1.00 0.00 H new ATOM 0 HE22 GLN A 140 1.647 19.851 -3.740 1.00 0.00 H new ATOM 2236 N ALA A 141 2.265 14.509 -5.347 1.00 0.00 N ATOM 2237 CA ALA A 141 2.373 14.319 -6.790 1.00 0.00 C ATOM 2238 C ALA A 141 0.996 14.122 -7.425 1.00 0.00 C ATOM 2239 O ALA A 141 0.686 14.754 -8.432 1.00 0.00 O ATOM 2240 CB ALA A 141 3.262 13.111 -7.082 1.00 0.00 C ATOM 0 H ALA A 141 2.472 13.674 -4.799 1.00 0.00 H new ATOM 0 HA ALA A 141 2.819 15.214 -7.224 1.00 0.00 H new ATOM 0 HB1 ALA A 141 3.342 12.970 -8.160 1.00 0.00 H new ATOM 0 HB2 ALA A 141 4.254 13.280 -6.664 1.00 0.00 H new ATOM 0 HB3 ALA A 141 2.825 12.220 -6.631 1.00 0.00 H new ATOM 2246 N LEU A 142 0.161 13.254 -6.852 1.00 0.00 N ATOM 2247 CA LEU A 142 -1.190 12.951 -7.339 1.00 0.00 C ATOM 2248 C LEU A 142 -2.035 14.226 -7.442 1.00 0.00 C ATOM 2249 O LEU A 142 -2.793 14.381 -8.398 1.00 0.00 O ATOM 2250 CB LEU A 142 -1.867 11.927 -6.408 1.00 0.00 C ATOM 2251 CG LEU A 142 -1.332 10.486 -6.539 1.00 0.00 C ATOM 2252 CD1 LEU A 142 -1.798 9.640 -5.348 1.00 0.00 C ATOM 2253 CD2 LEU A 142 -1.796 9.815 -7.838 1.00 0.00 C ATOM 0 H LEU A 142 0.410 12.727 -6.015 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.109 12.522 -8.338 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -1.740 12.255 -5.376 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -2.938 11.923 -6.612 1.00 0.00 H new ATOM 0 HG LEU A 142 -0.244 10.549 -6.556 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -1.415 8.625 -5.451 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -1.424 10.077 -4.422 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -2.887 9.616 -5.323 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -1.396 8.802 -7.888 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -2.885 9.776 -7.858 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -1.437 10.389 -8.692 1.00 0.00 H new